C9H10N2O5 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) - , (2R, 3 R, 3aS, 9aR) - (9CI, ACI)

ibicuruzwa

C9H10N2O5 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) - , (2R, 3 R, 3aS, 9aR) - (9CI, ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

3736-77-4

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 226.19 -
Gushonga Ingingo (Ubushakashatsi) 234-235 ° C. -
Ingingo yo guteka (Biteganijwe) 456.3 ± 55.0 ° C. Kanda: 760 Torr
Ubucucike (Biteganijwe) 2.01 ± 0.1 g / cm3 Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe) 12.55 ± 0.40 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical
O = C1N = C2OC3C (O) C (OC3N2C = C1) CO
Isomeric SMILES
O [C @ H] 1 [C @] 2 ([C @] (N3C (O2) = NC (= O) C = C3) (O [C @@ H] 1CO) [H]) [H]
InChI
InChI = 1S / C9H10N2O5 / c12-3-4-6 (14) 7-8 (15-4) 11-2-1-5 (13) 10-9 (11) 16-7 / h1-2,4, 6-8,12,14H, 3H2 / t4-, 6-, 7 +, 8- / m1 / s1
InChI Urufunguzo
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Andi mazina kuriyi ngingo
. -a] pyrimidin-6-imwe (ACI);6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) - (6CI , 7CI);6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, [ 2R- (2α, 3β, 3aβ, 9aβ)] - (ZCI);6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a]

pyrimidin-6-imwe, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, stereoisomer (8CI);2,2 ′ -Anhydro (1- β -D-arabinofuranosyl) uracil;2,2 ′ -Anhydro-1- β -D-arabino-furanosyluracil;2,2 ′ -Anhydro-N1- (β -D-arabinofuranosyl) uracil;2,2 ′ -Anhydrouridine;2,2 ′ -O-Cyclouridine;NSC 157148;O2,2 ′ -Anhydrouridine;O2,2 ′ -Cyclouridine;β -D-2 ′, 2-O-Cycloarabinouridine

Ibyiza Byubushakashatsi

Ibyiza birahari
Ibyiza kandi Bitatanye
Ubushyuhe

Ibyiza no Gutatana

Umutungo Agaciro Imiterere Inkomoko
Imbaraga Zizunguruka -19 deg Umuti: Methanol;λ: 589.3 nm;Ubushyuhe: 26 ° C. (1) URUBANZA

(1) Codington, John F.;Ikinyamakuru cya Sosiyete y'Abanyamerika y'Abashakashatsi, (1961), 83, 5030-1, CAplus

Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo yo gushonga 250-253 ° C.   (1) URUBANZA
Ingingo yo gushonga 246 ° C. Umuti: Ethanol;Isopropanol (2) URUBANZA
Ingingo yo gushonga 242-245 ° C.   (3) URUBANZA
Ingingo yo gushonga 242-243 ° C.   (4) URUBANZA
Ingingo yo gushonga 236-238 ° C (decomp)   (5) URUBANZA
Ingingo yo gushonga 234 ° C.   (6) URUBANZA
Ingingo yo gushonga 234-235 ° C.   (7) URUBANZA
Ingingo yo gushonga 233-234 ° C (decomp) Umuti: Methanol (8) URUBANZA
Ingingo yo gushonga Reba Inyandiko Yuzuye   (9) URUBANZA

(1) Lin, Kun-I.;Ikinyamakuru cy’umuryango w’ubushinwa (Taipei, Tayiwani), (2007), 54 (2), 563-568, CAplus

(2) Takatsuki, Ken-ichi;Nucleoside, Nucleotide & Acide Nucleic, (2006), 25 (7), 719-734, CAplus

(3) Wnuk, Stanislaw F.;Ikinyamakuru cya Chimie Organic, (2002), 67 (6), 1816-1819, CAplus

(4) Szlenkier, Maurycy;Nucleoside, Nucleotide & Acide Nucleic, (2016), 35 (8), 410-425, CAplus

(5) Marumoto, Ryuji;Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena;Tetrahedron, (2003), 59 (23), 4047-4057, CAplus

(7) Brown, DM;Ikinyamakuru cya Sosiyete Simiya, (1958), 3035-8, CAplus

(8) Li, Heting;Itumanaho rya sintetike, (2006), 36 (14), 1933-1940, CAplus

(9) Codington, John F.;Ikinyamakuru cya Sosiyete y'Abanyamerika y'Abashakashatsi, (1961), 83, 5030-1, CAplus

Ikigereranyo

Spectra irahari
1 H NMR
13 C NMR
IR
Spectra irahari
Misa

Ibintu Byateganijwe

Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ubushyuhe

Ibinyabuzima

Umutungo Agaciro Imiterere Inkomoko
Ikintu cya Bioconcentration 1.0 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 8;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Ikintu cya Bioconcentration 1.0 pH 10;Ubushyuhe: 25 ° C. (1) ACD

.

Imiti

Umutungo Agaciro Imiterere Inkomoko
Koc 7.66 pH 1;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 2;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 3;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 4;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 5;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 6;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 7;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.66 pH 8;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Koc 7.66 pH 9;Ubushyuhe: 25 ° C. (1) ACD
Koc 7.64 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 1;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 2;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 3;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 4;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 5;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 6;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 7;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 8;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 9;Ubushyuhe: 25 ° C. (1) ACD
logD -0.91 pH 10;Ubushyuhe: 25 ° C. (1) ACD
logP -0.906 ± 0.555 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 4.7 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 4.7 g / L. Amazi adafite amazi pH 6.91;Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 0.021 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 1;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 2;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 3;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 4;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 5;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 6;Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Amashanyarazi 0.021 mol / L. pH 7;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 8;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 9;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. pH 10;Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.021 mol / L. Amazi adafite amazi pH 6.91;Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 226.19    
pKa 12.55 ± 0.40 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa -4.68 ± 0.60 Ubushyuhe bwibanze: 25 ° C. (1) ACD
Umuvuduko w'umwuka 3.04 x 10-10 Torr Ubushyuhe: 25 ° C. (1) ACD

.

Ubucucike

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 2.01 ± 0.1 g / cm3 Ubushyuhe: 20 ° C;Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 112.3 ± 7.0 cm3 / mol Ubushyuhe: 20 ° C;Kanda: 760 Torr (1) ACD

.

Lipinski

Umutungo Agaciro Imiterere Inkomoko
Impapuro zishobora guhinduka 3 (1) ACD
H Abakira 7 (1) ACD
H Abaterankunga 2 (1) ACD
H Abaterankunga / Abemera Sum 9 (1) ACD
logP -0.906 ± 0.555 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 226.19

.

Imiterere ijyanye

Umutungo Agaciro Inkomoko
Ubuso bwa polarike 91.6 A2 (1) ACD

.

Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo 456.3 ± 55.0 ° C. Kanda: 760 Torr (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
Umwuka wo guhumeka 82.62 ± 6.0 kJ / mol Kanda: 760 Torr (1) ACD
Flash point 229.8 ± 31.5 ° C.   (1) ACD

.

Ibiteganijwe

Spectra irahari
1 H NMR
13 C NMR

GHS Ibyatangajwe

Inkomoko ya Code Hazard Inkomoko
H302 Byangiza niba byamizwe Ikigo cy’iburayi gishinzwe imiti (ECHA) Gutondekanya & Kwandika

Ibarura - Kumenyeshwa ibyiciro no kuranga - kumenyeshwa cyane, Ikigo gishinzwe imiti (ECHA)

Itondekanya & Ibiranga Ibarura - Bimenyeshejwe ibyiciro hamwe na label - imenyesha rikomeye


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