C10H12N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-moja, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, (2r, 3, 3, 3, 3, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3, 3 r, 3
Nambari ya Usajili wa CAS
22423-26-3
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 240.21 | - |
Hatua ya kuyeyuka (majaribio) | 218 ° C. | Kutengenezea: ethanol; Isopropanol |
Kiwango cha kuchemsha (kilitabiriwa) | 452.0 ± 55.0 ° C. | Bonyeza: 760 Torr |
Uzani (uliotabiriwa) | 1.88 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 12.56 ± 0.60 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
O = C1N = C2OC3C (O) C (OC3N2C = C1C) CO
Tabasamu za Isomeric
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-/S1
Ufunguo wa Inchi
Wlloaucnumyoqi-jagxhnfqsa-n
Majina mengine 17 kwa dutu hii
(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-moja (ACI);
6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-moja, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl- (6ci, 7ci, 8ci); 6.H-Furo
[2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-moja, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R- (2α, 3β, 3aβ, 9aβ)]- (ZCI);
11: PN: US20040014699 Ukurasa: 18 ilidai DNA; 12: PN: US20040005565 Ukurasa: 17- 22 Alidai DNA; 12: PN: US20040005570 Ukurasa: 18 madai ya DNA; 12: PN: US20040006029 Ukurasa: 21 ilidai DNA; 12: PN: US20040014051 Ukurasa: 21 madai ya DNA; 1: PN: WO20050 06958 Ukurasa: 59 alidai DNA; 2,2 ′ -anhydro (1- β -d-arabinofuranosyl)-5-methyluracil; 3: PN: WO2005007825 Ukurasa: 59 alidai DNA; 84: PN: US20040005707 Ukurasa: 18 ilidai DNA; 9: PN: US20040014048 Ukurasa: 19 alidai DNA; 9: PN: US20040014049 Ukurasa: 19
madai ya DNA;O2,2 ′ -anhydro-5-methyluridine; O2,2 ′ -anhydro-5-methyluridine; Tk 112690
Mali inapatikana
Mafuta
Mali | Thamani | Hali | Chanzo |
Hatua ya kuyeyuka | 240-242 ° C. | (1) CAS | |
Hatua ya kuyeyuka | 218 ° C. | Kutengenezea: ethanol; Isopropanol | (2) CAS |
Hatua ya kuyeyuka | Tazama maandishi kamili | (3) CAS | |
Hatua ya kuyeyuka | Tazama maandishi kamili | (4) CAS |
(1) Oliveira, Maralise P.; Jarida la Jumuiya ya Kemikali ya Brazil, (2015), 26 (4), 816-821, Caplus
(2) Takatsuki, Ken-Ichi; Nucleosides, Nucleotides & Asidi ya Nyuklia, (2006), 25 (7), 719-734, Caplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, Caplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, Caplus
Spectra inayopatikana
1 H NMR
13 C NMR
Hetero nmr
Misa
Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana
Mafuta
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 1.0 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 10; Temp: 25 ° c | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
KOC | 12.9 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 12.9 | pH 10; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 1; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 2; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 3; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 4; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 5; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 6; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 7; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 8; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 9; Temp: 25 ° c | (1) ACD |
logi | -0.49 | pH 10; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Logp | -0.491 ± 0.556 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.1 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.1 g/l | Maji yasiyokuwa na maji pH 6.94; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 0.013 mol/L. | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.013 mol/L. | Maji yasiyokuwa na maji pH 6.94; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 240.21 | ||
PKA | 12.56 ± 0.60 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | -4.36 ± 0.60 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
Shinikizo la mvuke | 4.54 x 10-10 Torr | Temp: 25 ° c | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
Wiani | 1.88 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 127.5 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 3 | (1) ACD | |
Wapokeaji | 7 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 9 | (1) ACD | |
Logp | -0.491 ± 0.556 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 240.21 |
.
Mali | Thamani | Chanzo cha hali |
Eneo la uso wa polar | 91.6 A2 | (1) ACD |
.
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 452.0 ± 55.0 ° C. | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya mvuke | 82.04 ± 6.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Flash | 227.2 ± 31.5 ° C. | (1) ACD |
.
Spectra inapatikana ⁿ
1 H NMR
13 C NMR