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)
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. |
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 birahari
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
Spectra iraboneka
1 H NMR
13 C NMR
Hetero NMR
Misa
Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
Ubushyuhe
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 |
.
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 |
.
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 |
.
Umutungo | Agaciro | Inkomoko |
Ubuso bwa polarike | 91.6 A2 | (1) ACD |
.
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 |
.
Spectra irahari ⁿ
1 H NMR
13 C NMR