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).

toradh

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).

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Mionsonraí substainte

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.

Ainmneacha agus aitheantóirí eile

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 turgnamhacha

Airíonna atá ar fáil
Teirmeach

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

Speictream turgnamhach

Spectra Infhaighteacht
1 H NMR
13 C NMR
Hetero NMR
Mir

Airíonna tuartha

Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Dlús
Lipinski
A bhaineann le struchtúr
Teirmeach

Bitheolaíoch

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

.

Ceimiceán

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

.

Lipinski

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    

.

A bhaineann le struchtúr

Maoin Luach Foinse choinníll
Achar dromchla polar 91.6 A2 (1) ACD

.

Teirmeach

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

.

Speictrim tuartha

Spectra ar fáil ⁿ
1 H NMR
13 C NMR


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