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)
Nambari ya Usajili ya CAS
3736-77-4
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 226.19 | - |
Kiwango Myeyuko (Majaribio) | 234-235 °C | - |
Kiwango cha Kuchemka (Iliyotabiriwa) | 456.3±55.0 °C | Bonyeza: 760 Torr |
Msongamano (Uliotabiriwa) | 2.01±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 12.55±0.40 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kikanuni
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric TABASAMU
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
Ufunguo wa InChi
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Majina Mengine ya Dawa hii
(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-one (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-moja, 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; BMT 157148; O2,2′ -Anhydrouridine; O2,2′ -Cyclouridine; β -D-2′,2-O-Cycloarabinouridine
Mali zinazopatikana
Macho na Kutawanya
Joto
Mali | Thamani | Hali | Chanzo |
Nguvu ya Kuzunguka ya Macho | -19 digrii | Kutengenezea: Methanoli; λ: 589.3 nm; Joto: 26 °C | (1) CAS |
(1) Codington, John F.; Jarida la Jumuiya ya Kemikali ya Amerika, (1961), 83, 5030-1, CAplus
Mali | Thamani | Hali | Chanzo |
Kiwango Myeyuko | 250-253 °C | (1) CAS | |
Kiwango Myeyuko | 246 °C | Kutengenezea: Ethanoli; Isopropanoli | (2) CAS |
Kiwango Myeyuko | 242-245 °C | (3) CAS | |
Kiwango Myeyuko | 242-243 °C | (4) CAS | |
Kiwango Myeyuko | 236-238 °C (kuharibika) | (5) CAS | |
Kiwango Myeyuko | 234 °C | (6) CAS | |
Kiwango Myeyuko | 234-235 °C | (7) CAS | |
Kiwango Myeyuko | 233-234 °C (kuharibika) | Kutengenezea: Methanoli | (8) CAS |
Kiwango Myeyuko | Tazama Maandishi Kamili | (9) CAS |
(1) Lin, Kun-I.; Jarida la Jumuiya ya Kemikali ya Kichina (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.; Jarida la Kemia Hai, (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; Jarida la Jumuiya ya Kemikali, (1958), 3035-8, CAplus
(8) Li, Heting; Synthetic Communications, (2006), 36(14), 1933-1940, CAPlus
(9) Codington, John F.; Jarida la Jumuiya ya Kemikali ya Amerika, (1961), 83, 5030-1, CAplus
Spectra inapatikana
1 H NMR
13 C NMR
IR
Spectra inapatikana
Misa
Mali zinazopatikana
Kibiolojia
Kemikali
Msongamano
Lipinski
Kuhusiana na Muundo
Joto
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Koc | 7.66 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 7.66 | pH 8; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 7.66 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 7.64 | pH 10; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 1; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 2; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 3; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 4; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 5; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 6; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 7; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 8; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 9; Joto: 25 °C | (1) ACD |
logD | -0.91 | pH 10; Joto: 25 °C | (1) ACD |
logP | -0.906±0.555 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 4.7 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.7 g/L | Maji yasio na buffered pH 6.91; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 0.021 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 0.021 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.021 mol/L | Maji yasio na buffered pH 6.91; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 226.19 | ||
pKa | 12.55±0.40 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | -4.68±0.60 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
Shinikizo la Mvuke | 3.04 x 10-10 Torr | Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Msongamano | 2.01±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 112.3±7.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 3 | (1) ACD | |
H Wapokeaji | 7 | (1) ACD | |
H Wafadhili | 2 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 9 | (1) ACD | |
logP | -0.906±0.555 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 226.19 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Chanzo cha Hali |
Eneo la Uso wa Polar | 91.6 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 456.3±55.0 °C | Bonyeza: 760 Torr | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Enthalpy ya vaporization | 82.62±6.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Kiwango | 229.8±31.5 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1 H NMR
13 C NMR
Chanzo cha Taarifa ya Hatari ya Kanuni | |
H302 Inadhuru ikiwa imemeza | Uainishaji na Uwekaji Lebo kwa Wakala wa Kemikali wa Ulaya (ECHA). Malipo - Uainishaji ulioarifiwa na uwekaji lebo - arifa za kawaida zaidi, Wakala wa Kemikali wa Ulaya (ECHA) Uainishaji&Uwekaji Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi |