C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl) , (2R,3 R,3aS,9aR)- (9CI, ACI)
Lambarka Diiwaanka CAS
3736-77-4
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 226.19 | - |
Meesha dhalaalaysa (Tijaabo) | 234-235 °C | - |
Barta karkarinta (La saadaaliyay) | 456.3±55.0 °C | Riix: 760 Torr |
Cufnaanta (La saadaaliyay) | 2.01± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
pKa (La saadaaliyay) | 12.55± 0.40 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Dhoola-caddeyn
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChi
InChi= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Furaha InChi
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Magacyo kale oo Walaxdan ah
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2] -a]pyrimidin-6-kow (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI) , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R- (2α,3β,3aβ,9aβ)] - (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]
pyrimidin-6-hal, 2,3,3a,9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -, stereoisomer (8CI); 2,2 '-Anhydro (1- β -D-arabinofuranosyl) uracil; 2,2 '-Anhydro-1- β -D-arabino-furanosyluracil; 2,2 '-Anhydro-N1- (β -D-arabinofuranosyl) uracil; 2,2 '-Anhydrouridine; 2,2 '-O-Cyclouridine; NSC 157148; O2,2 '-Anhydrouridine; O2,2 '-Cyclouridine; β -D-2′,2-O-Cycloarabinouridine
Guryaha la heli karo
Aragga iyo firdhinta
Kulul
Hanti | Qiimaha | Xaalad | Xigasho |
Awooda Wareega indhaha | -19 deg | Miraha: Methanol; λ: 589.3 nm; Heerkulka: 26 °C | (1) CAS |
(1) Codington, John F.; Joornaalka Ururka Kiimikada Maraykanka, (1961), 83, 5030-1, CAplus
Hanti | Qiimaha | Xaalad | Xigasho |
Meesha dhalaalaysa | 250-253 °C | (1) CAS | |
Meesha dhalaalaysa | 246 °C | Miraha: ethanol; isopropanol | (2) CAS |
Meesha dhalaalaysa | 242-245 °C | (3) CAS | |
Meesha dhalaalaysa | 242-243 °C | (4) CAS | |
Meesha dhalaalaysa | 236-238 °C (decomp) | (5) CAS | |
Meesha dhalaalaysa | 234 °C | (6) CAS | |
Meesha dhalaalaysa | 234-235 °C | (7) CAS | |
Meesha dhalaalaysa | 233-234 °C (decomp) | Miraha: Methanol | (8) CAS |
Meesha dhalaalaysa | Eeg qoraalka oo dhammaystiran | (9) CAS |
(1) Lin, Kun-I.; Wargeyska Ururka Kiimikada Shiinaha (Taipei, Taiwan), (2007), 54 (2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.; Joornaalka Kiimikada Dabiiciga ah, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, CAplus
(7) Brown, DM; Joornaalka Bulshada Kiimikada, (1958), 3035-8, CAplus
(8) Li, Heting; Isgaarsiinta synthetic, (2006), 36 (14), 1933-1940, CAplus
(9) Codington, John F.; Joornaalka Ururka Kiimikada Maraykanka, (1961), 83, 5030-1, CAplus
Spectra waa la heli karaa
1 H NMR
13 C NMR
IR
Spectra waa la heli karaa
Mass
Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira
Kulul
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 7.66 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 7.66 | pH 8; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 7.66 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 7.64 | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | -0.91 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | -0.906±0.555 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 4.7 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.7 g/L | Biyaha aan la daboolin pH 6.91; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 0.021 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 0.021 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 0.021 mol/L | Biyaha aan la daboolin pH 6.91; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 226.19 | ||
pKa | 12.55± 0.40 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | -4.68±0.60 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
Cadaadis uumiga | 3.04 x 10-10 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Cufnaanta | 2.01± 0.1 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
Mugga Molar | 112.3 ± 7.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 3 | (1) ACD | |
H Aqbalayaasha | 7 | (1) ACD | |
H Deeq-bixiyayaasha | 2 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 9 | (1) ACD | |
logP | -0.906±0.555 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 226.19 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Isha Xaaladda |
Aagga dusha sare ee Polar | 91.6 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Barta Karsan | 456.3±55.0 °C | Riix: 760 Torr | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Enthalpy of uumiga | 82.62± 6.0 kJ/mol | Riix: 760 Torr | (1) ACD |
Barta Fiishka | 229.8± 31.5 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1 H NMR
13 C NMR
Isha Bayaanka Khatarta Koodhka | |
H302 Waxyeelo ayay leedahay haddii la liqo | Kala soocidda & calaamadaynta Wakaaladda Kiimikada Yurub (ECHA). Inventory - Kala soocida la ogeysiiyay iyo calaamadaynta - ogeysiisyada ugu caansan, Wakaaladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala saarid la ogeysiiyay iyo calaamadeynta - ogeysiisyada ugu daran |