C10H12N2O5 6H-Furo [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2,3,3a, 9a-tetrah Ydro-3-hydroxy-2- (Hydroxethyl) -7 -7-methyl-, (2R, 3 R, 3AS, 9ar)-(9ci) (9ci)-ACI)-(2R) 3AR)-(9CI)-(2R)) (9Ar), ACI) (9Ar), (2r), 3-3AR), ACI).
Uimhir Chlárlann CAS
22423-26-3
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 240.21 | - |
Leáphointe (turgnamhach) | 218 ° C. | Tuaslagóir: eatánól; Ispropanol |
Fiuchphointe (tuartha) | 452.0 ± 55.0 ° C. | Brúigh: 760 Torr |
Dlús (tuartha) | 1.88 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 12.56 ± 0.60 | An luas is aigéid: 25 ° C. |
Smiles Canónach
O = C1N = C2OC3C (O) C (OC3N2C = C1C) CO
Smiles isiméireach
O [c@h] 1 [c@] 2 ([c@] (n3c (o2) = nc (= o) c (c) = c3) (o [c @@ h] 1co) [H]) [H]
Orlach
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
Eochair Inchi
Wlloaucnumyoqi-jagxhnfqsa-n
17 Ainm eile don tsubstaint seo
(2R,3 R, 3aS, 9AR) -2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-meitil-6H-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-aon (ACI);
6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-aon, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-meitil- (6ci, 7ci, 8ci); 6H-Furo
[2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-aon, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -7-meitil-, [2R- (2α, 3β, 3aβ, 9aβ)]- (ZCI);
11: PN: US20040014699 Leathanach: 18 éileamh DNA; 12: PN: US20040005565 Leathanach: 17-22 22 Éilítear DNA; 12: PN: US20040005570 Leathanach: 18 éileamh DNA; 12: PN: US20040006029 Leathanach: 21 éileamh DNA; 12: PN: US20040014051 Leathanach: 21 éileamh DNA; 1: PN: WO20050 06958 Leathanach: 59 DNA a éilítear; 2,2 ′ -Anhydro (1- β -d-arabinofuranosyl)-5-methyluracil; 3: PN: WO2005007825 Leathanach: 59 éileamh DNA; 84: PN: US20040005707 Leathanach: 18 éileamh DNA; 9: PN: US20040014048 Leathanach: 19 éileamh DNA; 9: PN: US20040014049 Leathanach: 19
DNA éilithe;O2,2 ′ -Anhydro-5-methyluridine; O2,2 ′ -Anhydro-5-methyluridine; TK 112690
Airíonna atá ar fáil
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Leáphointe | 240-242 ° C. | (1) CAS | |
Leáphointe | 218 ° C. | Tuaslagóir: eatánól; Ispropanol | (2) CAS |
Leáphointe | Féach an téacs iomlán | (3) CAS | |
Leáphointe | Féach an téacs iomlán | (4) CAS |
(1) Oliveira, Maralise P.; Iris Chumann Ceimiceach na Brasaíle, (2015), 26 (4), 816-821, Caplus
(2) Takatsuki, Ken-Ichi; Nucleosides, nucleotides & aigéid núicléasacha, (2006), 25 (7), 719-734, Caplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, Caplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, Caplus
Spectra Infhaighteacht
1 H NMR
13 C NMR
Hetero NMR
Mir
Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Dlús
Lipinski
A bhaineann le struchtúr
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
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 |
logáil | -0.49 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | -0.49 | pH 10; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
logáil | -0.491 ± 0.556 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 3.1 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 3.1 g/l | Uisce neamh -mhaolaithe pH 6.94; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 0.013 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.013 mol/l | Uisce neamh -mhaolaithe pH 6.94; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 240.21 | ||
pka | 12.56 ± 0.60 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | -4.36 ± 0.60 | An luas is bunúsaí: 25 ° C. | (1) ACD |
Brú gaile | 4.54 x 10-10 Torr | TEMP: 25 ° C. | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.88 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 127.5 ± 7.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 3 | (1) ACD | |
H Glacadóirí | 7 | (1) ACD | |
Hontóirí H. | 2 | (1) ACD | |
H suim deontóra/glacadóir | 9 | (1) ACD | |
logáil | -0.491 ± 0.556 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 240.21 |
.
Maoin | Luach | Foinse choinníll |
Achar dromchla polar | 91.6 A2 | (1) ACD |
.
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fiuchphointe | 452.0 ± 55.0 ° C. | Brúigh: 760 Torr | (1) ACD |
Eantalpacht an ghalraithe | 82.04 ± 6.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
Bonnphointe | 227.2 ± 31.5 ° C. | (1) ACD |
.
Spectra ar fáil ⁿ
1 H NMR
13 C NMR