C10h12n2o5 6h-furo [2 ', 3': 4,5] pyrimidin-6-yek, 2,3,3a, 9a-tetrah ydro-3-hîdroxy-2- (2r, 3 r, 3as, 9ci) - (9ci, ACI)
Hejmara Registry
22423-26-3
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 240.21 | - |
Melting Point (ceribandin) | 218 ° C | Solvent: etanol; Isopropanol |
Point Point (texmîn kirin) | 452.0 ± 55.0 ° C | Pressapkirin: 760 Torr |
Dendik (texmîn kirin) | 1.88 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
PKA (texmîn kirin) | 12.56 ± 0.60 | Temana herî acid: 25 ° C |
Hespên Canonîkî
O = C1N = C2OC3C (O) C (OC3N2C = C1C) CO
Isomeric bişirîn
O [C @ h] 2 ([C @] (N3C (O]) = NC (= O) C (c) = c3) (O [[[[[[[[[[[[[[c])) [H])
Inchi
Inchi = 1s / c10h12n2o5 / c1-4-2-12-9-7 (6 (14) 5 (3-13) 16-9) 17-10 (4) 15 / h2,5-7,9,13-14h, 3H2,1h3 / T5-, 6-, 7 +, 9- / M1 + S1
Keyeya Inchi
WLLoaUcnumyoQi-jagxhnfqsa-n
17 Navên din ên ji bo vê madeyê
(2R,3 R, 3aS, 9aR) -2,3,3a, 9a-tetrahydro-3-hîdroxy-2- (hîdroksmetethyl) -7-methyl-6H-furo [2 ', 3': 4,5] Oxazolo [3,2-a] Pyrimidin-6-yek (ACI);
6H-Furo [2 ', 3': 4,5] Oxazolo [3,2-a] pyrimidin-6-yek, 2,3,3a, 9a-tetrahydro-3-hîdroxy-2- (hîdroksmethyl) -7-methyl- (6ci, 7ci, 8ci); 6H-Furo
[2 ', 3': 4,5] Oxazolo [3,2-a] pyrimidin-6-yek, 2,3,3a, 9a-tetrahydro-3-hîdroxy-2- (hydroxymetethyl) -7-methyl-, [2R- (2α, 3, 3aβ, 9aβ)] - (ZCI);
11: pn: US20040014699 Rûpel: 18 DNA îdîa kir; 12: pn: US20040005565 Rûpel: 17- 22 22 DNA îdîa kir; 12: pn: US20040005570 Rûpel: 18 DNA îdîa kir; 12: pn: US20040006029 Rûpel: 21 DNA îdîa kir; 12: pn: US20040014051 Rûpel: 21 DNA îdîa kir; 1: PN: WO20050 06958 Rûpel: 59 DNA îdîa kir; 2,2 '-Anhydro (1- β -d-arabinofuranososyl) - 5-methyluracil; 3: PN: WO2005007825 Rûpel: 59 DNA îdîa kir; 84: pn: US20040005707 Rûpel: 18 DNA îdîa kir; 9: pn: US20040014048 Rûpel: 19 DNA îdîa kir; 9: pn: US20040014049 Rûpel: 19
DNA îdîa kir;O2,2 '-ANHYDRO-5-METYLURIDINE; O2,2 '-ANHYDRO-5-METYLURIDINE; TK 112690
Taybetmendiyên berdest
Thermal
Mal | Giranî | Rewş | Kanî |
Xala melting | 240-242 ° C | (1) cas | |
Xala melting | 218 ° C | Solvent: etanol; Isopropanol | (2) cas |
Xala melting | Nivîsa tevahî bibînin | (3) cas | |
Xala melting | Nivîsa tevahî bibînin | (4) cas |
(1) Oliveira, Maralise p.; Kovara Kîmyewî ya Brezîlyayê, (2015), 26 (4), 816-821, CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CALLY
(2) Takatsuki, Ken-Ichi; Nucleosides, Nucleotides & Acidên Nucleic, (2006), 25 (7), 719-734, CA CAvlus
(3) MANOHANAN, MUTHIAH; US20030088079, A1, 2003, CAllus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAllus
Spectra avabl
1 H NMR
13 C NMR
Hetero nmr
Gel
Taybetmendiyên berdest
Bedirî
Şîmyakî
Dendetî
Lipinski
Struktura têkildar
Thermal
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
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 |
logd | -0.49 | PH 1; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 2; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 3; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 4; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 5; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 6; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 7; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 8; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 9; Temp: 25 ° C | (1) ACD |
logd | -0.49 | PH 10; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
logp | -0.491 ± 0.556 | Temp: 25 ° C | (1) ACD |
Solubilityê dorpêçkirî ya girseyî | 3.1 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 3.1 g / l | Wateriyayê Unbuffered PH 6.94; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 0.013 Mol / L | Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 5; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 0.013 Mol / L | Wateriyayê Unbuffered PH 6.94; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 240.21 | ||
pka | 12.56 ± 0.60 | Temana herî acid: 25 ° C | (1) ACD |
pka | -4.36 ± 0.60 | Temana herî bingehîn: 25 ° C | (1) ACD |
Zexta vapor | 4.54 x 10-10 Torr | Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Dendetî | 1.88 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
Molar Volume | 127.5 ± 7.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Bonds rotatable ya azad | 3 | (1) ACD | |
H qebûlkar | 7 | (1) ACD | |
H Donors | 2 | (1) ACD | |
H Donor / Qedexe | 9 | (1) ACD | |
logp | -0.491 ± 0.556 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 240.21 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Çavkaniya şertê |
Qada pola polar | 91.6 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Mal | Giranî | Rewş | Kanî |
Xala zirav | 452.0 ± 55.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
Enthalpy ya vaporîzasyonê | 82.04 ± 6.0 KJ / MOL | Pressapkirin: 760 Torr | (1) ACD |
Point Point | 227.2 ± 31.5 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra berdest ⁿ
1 H NMR
13 C NMR