C10H12N2O5 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) - 7-methyl-, (2R, 3 R, 3aS, 9aR) - (9CI, ACI)

ibicuruzwa

C10H12N2O5 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) - 7-methyl-, (2R, 3 R, 3aS, 9aR) - (9CI, ACI)

Amakuru y'ibanze:


Ibicuruzwa birambuye

Ibicuruzwa

Ibisobanuro birambuye

Numero ya CAS

22423-26-3

Ibyingenzi Byumubiri Agaciro Imiterere
Uburemere bwa molekile 240.21 -
Ingingo yo gushonga (Ubushakashatsi) 218 ° C. Umuti: Ethanol; Isopropanol
Ingingo yo guteka (Biteganijwe) 452.0 ± 55.0 ° C. Kanda: 760 Torr
Ubucucike (Biteganijwe) 1.88 ± 0.1 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr
pKa (Byahanuwe) 12.56 ± 0.60 Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical

O = C1N = C2OC3C (O) C (OC3N2C = C1C) CO

Isomeric SMILES

O [C @ H] 1 [C @] 2 ([C @] (N3C (O2) = NC (= O) C (C) = C3) (O [C @@ H] 1CO) [H]) [ H]

InChI

InChI = 1S / C10H12N2O5 / c1-4-2-12-9-7 (6 (14) 5 (3-13) 16-9) 17-10 (12) 11-8 (4) 15 / h2,5- 7,9,13-14H, 3H2,1H3 / t5-, 6-, 7 +, 9- / m1 / s1

InChI Urufunguzo

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Andi mazina kuriyi ngingo

(2R,3 R, 3aS, 9aR) -2,3,3a, 9a-Tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-6H-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-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) -7-methyl- (6CI, 7CI, 8CI); 6H-Furo

[2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-imwe, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R- (2α, 3β, 3aβ, 9aβ)] - (ZCI);

11: PN: US20040014699 URUPAPURO: 18 basabye ADN; 12: PN: US20040005565 URUPAPURO: 17- 22 basabye ADN; 12: PN: US20040005570 URUPAPURO: 18 basabye ADN; 12: PN: US20040006029 URUPAPURO: 21 basabye ADN; 12: PN: US20040014051 URUPAPURO: 21 basabye ADN; 1: PN: WO20050 06958 URUPAPURO: 59 basabye ADN; 2,2 ′ -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 URUPAPURO: 59 basabye ADN; 84: PN: US20040005707 URUPAPURO: 18 basabye ADN; 9: PN: US20040014048 URUPAPURO: 19 basabye ADN; 9: PN: US20040014049 URUPAPURO: 19

ADN;O2,2 ′ -Anhydro-5-methyluridine; O2,2 ′ -Anhydro-5-methyluridine; TK 112690

Ibyiza Byubushakashatsi

Ibyiza birahari
Ubushyuhe

Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo yo gushonga 240-242 ° C. (1) URUBANZA
Ingingo yo gushonga 218 ° C. Umuti: Ethanol; Isopropanol (2) URUBANZA
Ingingo yo gushonga Reba Inyandiko Yuzuye (3) URUBANZA
Ingingo yo gushonga Reba Inyandiko Yuzuye (4) URUBANZA

(1) Oliveira, Maralise P.; Ikinyamakuru cy’umuryango w’imiti muri Berezile, (2015), 26 (4), 816-821, CAplus

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

(3) Manoharan, Mutiya; US20030088079, A1, 2003, CAplus

(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus

Ikigereranyo

Spectra iraboneka
1 H NMR
13 C NMR
Hetero NMR
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 12.9 pH 1; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 2; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 3; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 4; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 5; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 6; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 7; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 8; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 9; Ubushyuhe: 25 ° C. (1) ACD
Koc 12.9 pH 10; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 1; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 2; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 3; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 4; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 5; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 6; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 7; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 8; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 9; Ubushyuhe: 25 ° C. (1) ACD
logD -0.49 pH 10; Ubushyuhe: 25 ° C. (1) ACD

 

Umutungo Agaciro Imiterere Inkomoko
logP -0.491 ± 0.556 Ubushyuhe: 25 ° C. (1) ACD
Mass Massins Solubility 3.1 g / L. Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Gukemura ibibazo 3.1 g / L. Amazi adafite ingufu pH 6.94; Ubushyuhe: 25 ° C. (1) ACD
Molar Intrinsic Solubility 0.013 mol / L. Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 1; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 2; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 3; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 4; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 5; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 6; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 7; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 8; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 9; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. pH 10; Ubushyuhe: 25 ° C. (1) ACD
Amashanyarazi 0.013 mol / L. Amazi adafite ingufu pH 6.94; Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 240.21    
pKa 12.56 ± 0.60 Ubushyuhe bwinshi bwa Acide: 25 ° C. (1) ACD
pKa -4.36 ± 0.60 Ubushyuhe bwibanze: 25 ° C. (1) ACD
Umuvuduko w'umwuka 4.54 x 10-10 Torr Ubushyuhe: 25 ° C. (1) ACD

.

Umutungo Agaciro Imiterere Inkomoko
Ubucucike 1.88 ± 0.1 g / cm3 Ubushyuhe: 20 ° C; Kanda: 760 Torr (1) ACD
Umubumbe wa Molar 127.5 ± 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 -0.491 ± 0.556 Ubushyuhe: 25 ° C. (1) ACD
Uburemere bwa molekile 240.21    

.

Imiterere ijyanye

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

.

Ubushyuhe

Umutungo Agaciro Imiterere Inkomoko
Ingingo 452.0 ± 55.0 ° C. Kanda: 760 Torr (1) ACD
Umwuka wo guhumeka 82.04 ± 6.0 kJ / mol Kanda: 760 Torr (1) ACD
Flash point 227.2 ± 31.5 ° C.   (1) ACD

.

Ibiteganijwe

Spectra irahari ⁿ
1 H NMR
13 C NMR


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