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中国新化学物质查询
腺嘌呤基(3’-5’)胞苷酰(3’-5’)胞苷(ADENYLYL(3'-5')CYTIDYLYL(3'-5')CYTIDINE FREE ACID)
Cytidylsaeure b, 4-amino-1-(3-o-phosphonopentofuranosyl)pyrimidin-2(1h)-one, cytidylyl-(5'=>3')-cytidylyl-(5'=>3')-adenosine, Aracytidine 3'-monophosphate, [3']cytidylic acid, Cytidine-3'-Monophosphate
CAS号: 3128-37-8
IUPAC名称: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
分子式: C28H37N11O18P2
分子量: 877.60400
InChI: InChI=1S/C28H37N11O18P2/c29-13-1-3-37(27(45)35-13)24-17(42)16(41)11(54-24)6-51-58(47,48)57-21-12(55-25(19(21)44)38-4-2-14(30)36-28(38)46)7-52-59(49,50)56-20-10(5-40)53-26(18(20)43)39-9-34-15-22(31)32-8-33-23(15)39/h1-4,8-12,16-21,24-26,40-44H,5-7H2,(H,47,48)(H,49,50)(H2,29,35,45)(H2,30,36,46)(H2,31,32,33)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,24-,25-,26-/m1/s1
InChIKey: VZJYWZRAHCUTCH-FIVCZYLNSA-N
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=NC7=C(N=CN=C76)N)CO)O)O
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