C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-otu, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) 7-methyl-, (2R,3 R,3aS,9aR) - (9CI, ACI)
Nọmba ndekọ CAS
22423-26-3
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 240.21 | - |
Ebe mgbaze (nnwale) | 218 Celsius C | Ihe mgbaze: ethanol; Isopropanol |
Ebe a na-esi esi esi (buru amụma) | 452.0±55.0C | Pịa: 760 Torr |
Njupụta (buru amụma) | 1.88±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
pKa (buru amụma) | 12.56± 0.60 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị 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
Igodo InChi
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Aha ndị ọzọ maka ihe a
(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-otu (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-otu, 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-otu, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, [2R(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 PEEJI: 18 kwuru DNA; 12: PN: US20040005565 PEEJI: 17- 22 kwuru DNA; 12: PN: US20040005570 PEEJI: 18 kwuru DNA; 12: PN: US20040006029 PEEJI: 21 kwuru DNA; 12: PN: US20040014051 PEEJI: 21 kwuru DNA; 1: PN: WO20050 06958 PEEJI: 59 kwuru DNA; 2,2 '-Anhydro (1- β-D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 PEEJI: 59 kwuru DNA; 84: PN: US20040005707 PEEJI: 18 kwuru DNA; 9: PN: US20040014048 PEEJI: 19 kwuru DNA; 9: PN: US20040014049 PEEJI: 19
DNA kwuru;O2,2 '-Anhydro-5-methyluridine; O2,2′-Anhydro-5-methyluridine; TK 112690
Ngwongwo dị
Thermal
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ebe Na-agbaze | 240-242 Celsius C | (1) CAS | |
Ebe Na-agbaze | 218 Celsius C | Ihe mgbaze: ethanol; Isopropanol | (2) CAS |
Ebe Na-agbaze | Lee ederede zuru oke | (3) CAS | |
Ebe Na-agbaze | Lee ederede zuru oke | (4) CAS |
(1) Oliveira, Maralise P.; Akwụkwọ akụkọ nke Brazil Chemical Society, (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 dị
1H NMR
13C NMR
Hetero NMR
Mass
Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 1.0 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Koc | 12.9 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 12.9 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | -0.49 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
logP | -0.491±0.556 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 3.1 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.1 g/L | Mmiri na-enweghị atụ pH 6.94; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 0.013 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 0.013 mol / l | Mmiri na-enweghị atụ pH 6.94; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 240.21 | ||
pKa | 12.56± 0.60 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
pKa | -4.36±0.60 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
Uzuoku Nrụgide | 4.54 x 10-10 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Njupụta | 1.88±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 127.5± 7.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Nkwekọrịta na-agbanwe agbanwe n'efu | 3 | (1) ACD | |
H Ndị nnabata | 7 | (1) ACD | |
H Ndị na-enye onyinye | 2 | (1) ACD | |
H Donor/Anabata Nchikota | 9 | (1) ACD | |
logP | -0.491±0.556 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 240.21 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Isi mmalite ọnọdụ |
Mpaghara elu elu | 91.6 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ebe esi nri | 452.0±55.0C | Pịa: 760 Torr | (1) ACD |
Enthalpy nke Vaporization | 82.04± 6.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
Ebe mgbari | 227.2±31.5C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR