SpectraBase Compound ID | 7m8EvbaqQ27 |
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InChI | InChI=1S/C11H13N4O6P/c16-8-5(1-6-9(8)21-22(18,19)4-20-6)15-3-14-7-10(15)12-2-13-11(7)17/h2-3,5-6,8-9,16H,1,4H2,(H,18,19)(H,12,13,17)/t5-,6+,8+,9-/m1/s1 |
InChIKey | RVZKADSWOODWNF-CRYJXSNHSA-N |
Mol Weight | 328.22 g/mol |
Molecular Formula | C11H13N4O6P |
Exact Mass | 328.057271 g/mol |
SpectraBase Spectrum ID | KBbwvgy9kKr |
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Name | 9-[(1'.beta.,2'.alpha.,3'.alpha.,4'.beta.)-4'-(dihydroxyphosphorylmethoxy)-2',3'-dihydroxycyclopentyl]inosine 3',4'-cyclic ester |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H13N4O6P |
InChI | InChI=1S/C11H13N4O6P/c16-8-5(1-6-9(8)21-22(18,19)4-20-6)15-3-14-7-10(15)12-2-13-11(7)17/h2-3,5-6,8-9,16H,1,4H2,(H,18,19)(H,12,13,17)/t5-,6+,8+,9-/m1/s1 |
InChIKey | RVZKADSWOODWNF-CRYJXSNHSA-N |
Molecular Weight | 328.221 g/mol |
SMILES | N1C(c2c([n]([C@@]3(C[C@@]4(OCP(O[C@]4([C@]3(O)[H])[H])(=O)O)[H])[H])cn2)N=C1)=O |
SPLASH | splash10-03di-0932000000-ece356d9d6c621713015 |
Source of Spectrum | KC-0-3606-19 |
Synonyms | 9-[(1'beta,2'alpha,3'alpha,4'beta)-4'-(dihydroxyphosphorylmethoxy)-2',3'-dihydroxycyclopentyl]inosine 3',4'-cyclic ester 9-[(4aS,6R,7S,7aS)-2,7-dihydroxy-2-oxo-3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,4,2]dioxaphosphorin-6-yl]-3H-purin-6-one 9-[(4aS,6R,7S,7aS)-2,7-dihydroxy-2-oxo-3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,4,2]dioxaphosphinin-6-yl]-3H-purin-6-one 9-[(4aS,6R,7S,7aS)-2,7-bis(oxidanyl)-2-oxidanylidene-3,4a,5,6,7,7a-hexahydrocyclopenta[e][1,4,2]dioxaphosphinin-6-yl]-3H-purin-6-one |
Wiley ID | 823966 |