C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] pyrimidin-6-un, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)-(2r, 3r, 3 r)-3r, 3 r)
Rhif Cofrestrfa CAS
3736-77-4
Priodweddau Ffisegol Allweddol | Gwerthfawrogom | Cyflyrasoch |
Pwysau moleciwlaidd | 226.19 | - |
Toddi (arbrofol) | 234-235 ° C. | - |
Berwbwynt (a ragwelir) | 456.3 ± 55.0 ° C. | Gwasg: 760 Torr |
Dwysedd (a ragwelir) | 2.01 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr |
PKA (a ragwelir) | 12.55 ± 0.40 | Mwyaf Temp Asidig: 25 ° C. |
Gwenau canonaidd
O = C1n = C2OC3C (O) C (OC3N2C = C1) CO
Gwenau isomerig
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/s1/s1/s1/s1/s1/s1/s1/s1/s1
Allwedd inchi
Uugitdaswnoagg-ccxzuqqusa-n
13 enwau eraill ar gyfer y sylwedd hwn
(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-ffuro [2 ′, 3 ′: 4,5] Oxazolo [3,2-a] pyrimidin-6-un, 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); 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A]
pyrimidin-6-un, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8ci); 2,2 ′ -Hydro (1- β -D -arabinofuranosyl) uracil; 2,2 ′ -Hydro-1- β -D-Arabino-Furanosyluracil; 2,2 ′ -Hydro-N1- (β -D-Arabinofuranosyl) uracil; 2,2 ′ -HydRouridine; 2,2 ′ -o -cyclouridine; NSC 157148; O2,2 ′ -HydRouridine; O2,2 ′ -cyclouridine; β -d-2 ′, 2-o-cycloarabinouridine
Eiddo ar gael
Optegol a gwasgaru
Thermol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Pŵer cylchdro optegol | -19 deg | Toddydd: methanol; λ: 589.3 nm; TEMP: 26 ° C. | (1) CAS |
(1) Codington, John F.; Cyfnodolyn Cymdeithas Cemegol America, (1961), 83, 5030-1, Caplus
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Pwynt toddi | 250-253 ° C. | (1) CAS | |
Pwynt toddi | 246 ° C. | Toddydd: ethanol; Isopropanol | (2) CAS |
Pwynt toddi | 242-245 ° C. | (3) CAS | |
Pwynt toddi | 242-243 ° C. | (4) CAS | |
Pwynt toddi | 236-238 ° C (dadelfennu) | (5) CAS | |
Pwynt toddi | 234 ° C. | (6) CAS | |
Pwynt toddi | 234-235 ° C. | (7) CAS | |
Pwynt toddi | 233-234 ° C (dadelfennu) | Toddydd: methanol | (8) CAS |
Pwynt toddi | Gweler Testun Llawn | (9) CAS |
(1) Lin, Kun-I .; Cyfnodolyn Cymdeithas Cemegol Tsieineaidd (Taipei, Taiwan), (2007), 54 (2), 563-568, Caplus
(2) Takatsuki, Ken-idd; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2006), 25 (7), 719-734, Caplus
(3) Wnuk, Stanislaw F.; Cyfnodolyn Cemeg Organig, (2002), 67 (6), 1816-1819, Caplus
(4) Szlenkier, MauryCy; Niwcleosidau, niwcleotidau ac asidau niwcleig, (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; Journal of the Chemical Society, (1958), 3035-8, Caplus
(8) li, heting; Cyfathrebu Synthetig, (2006), 36 (14), 1933-1940, Caplus
(9) Codington, John F.; Cyfnodolyn Cymdeithas Cemegol America, (1961), 83, 5030-1, Caplus
Sbectra ar gael
1 h nmr
13 C NMR
IR
Sbectra ar gael
Torfol
Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig
Thermol
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ffactor Bio -ganolbwynt | 1.0 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Ffactor Bio -ganolbwynt | 1.0 | Ph 10; TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 7.66 | Ph 1; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 2; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 3; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 4; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 5; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 6; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 7; TEMP: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 8; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Koc | 7.66 | Ph 9; TEMP: 25 ° C. | (1) ACD |
Koc | 7.64 | Ph 10; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 1; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 2; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 3; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 4; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 5; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 6; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 7; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 8; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 9; TEMP: 25 ° C. | (1) ACD |
log | -0.91 | Ph 10; TEMP: 25 ° C. | (1) ACD |
logio | -0.906 ± 0.555 | TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid torfol | 4.7 g/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd torfol | 4.7 g/l | Dŵr heb ei drin pH 6.91; TEMP: 25 ° C. | (1) ACD |
Hydoddedd cynhenid molar | 0.021 mol/l | TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 1; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 2; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 3; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 4; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 5; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 6; TEMP: 25 ° C. | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Hydoddedd molar | 0.021 mol/l | Ph 7; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 8; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 9; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Ph 10; TEMP: 25 ° C. | (1) ACD |
Hydoddedd molar | 0.021 mol/l | Dŵr heb ei drin pH 6.91; TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 226.19 | ||
PKA | 12.55 ± 0.40 | Mwyaf Temp Asidig: 25 ° C. | (1) ACD |
PKA | -4.68 ± 0.60 | Temp mwyaf sylfaenol: 25 ° C. | (1) ACD |
Pwysau anwedd | 3.04 x 10-10 Torr | TEMP: 25 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Ddwysedd | 2.01 ± 0.1 g/cm3 | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
Cyfaint molar | 112.3 ± 7.0 cm3/mol | Temp: 20 ° C; Gwasg: 760 Torr | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Bondiau rotatable yn rhydd | 3 | (1) ACD | |
H Derbynyddion | 7 | (1) ACD | |
H rhoddwyr | 2 | (1) ACD | |
H rhoddwr/derbynnydd swm | 9 | (1) ACD | |
logio | -0.906 ± 0.555 | TEMP: 25 ° C. | (1) ACD |
Pwysau moleciwlaidd | 226.19 |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Ffynhonnell Cyflwr |
Arwynebedd pegynol | 91.6 A2 | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Berwbwyntiau | 456.3 ± 55.0 ° C. | Gwasg: 760 Torr | (1) ACD |
Eiddo | Gwerthfawrogom | Cyflyrasoch | Ffynhonnell |
Enthalpi anweddiad | 82.62 ± 6.0 kj/mol | Gwasg: 760 Torr | (1) ACD |
Phwynt fflach | 229.8 ± 31.5 ° C. | (1) ACD |
(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Sbectra ar gael
1 h nmr
13 C NMR
Ffynhonnell Datganiad Perygl Cod | |
H302 niweidiol os caiff ei lyncu | Dosbarthiad a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA) Rhestr - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Asiantaeth Gemegol Ewropeaidd (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol |