C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Nọmba iforukọsilẹ CAS
22423-26-3
Key Properties Properties | Iye | Ipo |
Òṣuwọn Molikula | 240.21 | - |
Ibi Iyọ (Ayẹwo) | 218 °C | Ohun elo: Ethanol; Isopropanol |
Oju Ise (Asọtẹlẹ) | 452,0 ± 55,0 °C | Tẹ: 760 Torr |
iwuwo (Asọtẹlẹ) | 1,88 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
pKa (Asọtẹlẹ) | 12.56 ± 0.60 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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 Key
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Awọn orukọ miiran fun nkan yii
(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-ọkan (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 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-ọkan, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 OJU: 18 ti o ni ẹtọ DNA; 12: PN: US20040005565 OJU: 17- 22 ti o ni ẹtọ DNA; 12: PN: US20040005570 OJU: 18 ti o ni ẹtọ DNA; 12: PN: US20040006029 OJU: 21 DNA ti o ni ẹtọ; 12: PN: US20040014051 OJU: 21 ti o ni ẹtọ DNA; 1: PN: WO20050 06958 OJU: 59 ti o ni ẹtọ DNA; 2,2 '-Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 OJU: 59 ti o ni ẹtọ DNA; 84: PN: US20040005707 OJU: 18 ti o ni ẹtọ DNA; 9: PN: US20040014048 OJU: 19 ti o ni ẹtọ DNA; 9: PN: US20040014049 EWE: 19
DNA ti a beere;O2,2 '-Anhydro-5-methyluridine; O2,2 '-Anhydro-5-methyluridine; TK 112690
Awọn ohun-ini ti o wa
Gbona
Ohun ini | Iye | Ipo | Orisun |
Ojuami Iyo | 240-242 °C | (1) CAS | |
Ojuami Iyo | 218 °C | Ohun elo: Ethanol; Isopropanol | (2) CAS |
Ojuami Iyo | Wo Ẹkunrẹrẹ Ọrọ | (3) CAS | |
Ojuami Iyo | Wo Ẹkunrẹrẹ Ọrọ | (4) CAS |
(1) Oliveira, Maralise P.; Iwe akosile ti Ẹgbẹ Kemikali Ilu Brazil, (2015), 26 (4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spectra availabl
1 H NMR
13 C NMR
Hetero NMR
Ibi
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
iwuwo
Lipinski
Ilana Jẹmọ
Gbona
Ohun ini | Iye | Ipo | Orisun |
Bioconcentration ifosiwewe | 1.0 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 1.0 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Ipo | Orisun |
Koc | 12.9 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
logD | -0.49 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
logP | -0,491 ± 0.556 | Iwọn otutu: 25 °C | (1) ACD |
Ibi Isolubu Agbekale | 3.1 g/L | Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.1 g/L | Omi ti ko ni ipamọ pH 6.94; Iwọn otutu: 25 °C | (1) ACD |
Solubility Inu inu Molar | 0.013 mol/L | Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 0.013 mol/L | Omi ti ko ni ipamọ pH 6.94; Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 240.21 | ||
pKa | 12.56 ± 0.60 | Pupọ Epo otutu: 25 °C | (1) ACD |
pKa | -4,36 ± 0,60 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
Oru Ipa | 4,54 x 10-10 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Ipo | Orisun |
iwuwo | 1,88 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
Iwọn didun Molar | 127,5 ± 7,0 cm3 / mol | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Ipo | Orisun |
Larọwọto Rotatable Bonds | 3 | (1) ACD | |
H Awọn olugba | 7 | (1) ACD | |
H Awọn oluranlọwọ | 2 | (1) ACD | |
H Oluranlọwọ / Olugba Apapọ | 9 | (1) ACD | |
logP | -0,491 ± 0.556 | Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 240.21 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Orisun ipo |
Pola dada Area | 91.6 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ohun ini | Iye | Ipo | Orisun |
Ojuami farabale | 452,0 ± 55,0 °C | Tẹ: 760 Torr | (1) ACD |
Enthalpy ti Vaporization | 82,04 ± 6,0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
Oju filaṣi | 227,2 ± 31,5 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR