C10H12N2O5 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2,3,3a, 9a-Tetrah YDRO-3-HYDROXY-2- (Hýdroxýmetýl) -7-metýl-, (2R, 3 R, 3AS, 9Ar)-(9Ci, Aci), (2R, 3 R, 3AS, 9Ar)-(9ci), (9ci)
CAS skrásetningarnúmer
22423-26-3
Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
Mólmassa | 240.21 | - |
Bræðslumark (tilrauna) | 218 ° C. | Leysir: etanól; Ísóprópanól |
Suðumark (spáð) | 452,0 ± 55,0 ° C. | Press: 760 Torr |
Þéttleiki (spáð) | 1,88 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (spáð) | 12,56 ± 0,60 | Sýrtasta temp: 25 ° C |
Canonical bros
O = C1N = C2OC3C (O) C (OC3N2C = C1C) CO
Isomicer bros
O [c@h] 1 [c@] 2 ([c@] (n3c (o2) = nc (= o) c (c) = c3) (o [c @@ h] 1co) [h]) [h]
Tommur
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 lykill
Wlloaucnumyoqi-jagxhnfqsa-n
17 önnur nöfn fyrir þetta efni
(2R,3 R, 3aS, 9aR) -2,3,3a, 9A-tetrahýdró-3-hýdroxý-2- (hýdroxýmetýl) -7-metýl-6H-buro [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one (ACI);
6H-Buro [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahýdró-3-hýdroxý-2- (hýdroxýmetýl) -7-metýl- (6ci, 7ci, 8ci); 6H-Buro
[2 ′, 3 ′: 4,5] oxazolo [3,2-a] Pyrimidin-6-One, 2,3,3a, 9A-tetrahýdró-3-hýdroxý-2- (hýdroxýmetýl) -7-metýl-, [2R- (2a, 3β, 3aβ, 9aβ)]- (ZCI);
11: PN: US20040014699 Bls: 18 krafist DNA; 12: PN: US20040005565 Page: 17-22 Kröfur DNA; 12: PN: US20040005570 Page: 18 krafist DNA; 12: PN: US20040006029 Bls: 21 krafist DNA; 12: PN: US20040014051 Bls: 21 krafist DNA; 1: PN: WO20050 06958 Page: 59 krafist DNA; 2,2 ′ -anhydro (1- ß -D-arabínófúranósýl)-5-metýlúrasíl; 3: PN: WO2005007825 Page: 59 krafist DNA; 84: PN: US20040005707 Page: 18 krafist DNA; 9: PN: US20040014048 Page: 19 krafist DNA; 9: PN: US20040014049 Page: 19
krafðist DNA;O2,2 ′ -anhydro-5-metýlúradín; O2,2 ′ -anhydro-5-metýlúrídín; TK 112690
Eignir í boði
Hitauppstreymi
Eign | Gildi | Ástand | Uppspretta |
Bræðslumark | 240-242 ° C. | (1) Cas | |
Bræðslumark | 218 ° C. | Leysir: etanól; Ísóprópanól | (2) Cas |
Bræðslumark | Sjá fullan texta | (3) Cas | |
Bræðslumark | Sjá fullan texta | (4) Cas |
(1) Oliveira, Maralise P.; Journal of the Brazilian Chemical Society, (2015), 26 (4), 816-821, Caplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (7), 719-734, Capus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, Caplus
(4) Miraglia, Loren J .; WO2003048315, A2, 2003, Caplus
Litróf tiltæk
1 klst. NMR
13 C nmr
Hetero nmr
Messa
Eignir í boði
Líffræðileg
Efni
Þéttleiki
Lipinski
Uppbygging tengd
Hitauppstreymi
Eign | Gildi | Ástand | Uppspretta |
Bioconcentration Factor | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 5; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Temp: 25 ° C. | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | Ástand | Uppspretta |
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 |
Eign | Gildi | Ástand | Uppspretta |
logp | -0,491 ± 0,556 | Temp: 25 ° C. | (1) ACD |
Massa eðlislægni | 3,1 g/l | Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
Massa leysni | 3,1 g/l | Óbifað vatn pH 6,94; Temp: 25 ° C. | (1) ACD |
Molar innri leysni | 0,013 mól/l | Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
Molar leysni | 0,013 mól/l | Óbifað vatn pH 6,94; Temp: 25 ° C. | (1) ACD |
Mólmassa | 240.21 | ||
PKA | 12,56 ± 0,60 | Sýrtasta temp: 25 ° C | (1) ACD |
PKA | -4,36 ± 0,60 | Grundvöllurinn: 25 ° C | (1) ACD |
Gufuþrýstingur | 4,54 x 10-10 Torr | Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | Ástand | Uppspretta |
Þéttleiki | 1,88 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Mólmagn | 127,5 ± 7,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | Ástand | Uppspretta |
Frjálslega snúningsbönd | 3 | (1) ACD | |
H samþykki | 7 | (1) ACD | |
H styrktaraðilar | 2 | (1) ACD | |
H gjafa/samþykki fjárhæð | 9 | (1) ACD | |
logp | -0,491 ± 0,556 | Temp: 25 ° C. | (1) ACD |
Mólmassa | 240.21 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | SKILYRÐI |
Polar yfirborð | 91.6 A2 | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Eign | Gildi | Ástand | Uppspretta |
Suðumark | 452,0 ± 55,0 ° C. | Press: 760 Torr | (1) ACD |
Enthalpy af gufu | 82,04 ± 6,0 kJ/mól | Press: 760 Torr | (1) ACD |
Flashpunktur | 227,2 ± 31,5 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði ⁿ
1 klst. NMR
13 C nmr