C#C[C@]1(COC(C)=O)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(C)=O

名称: Compound 3

IUPAC: [(2R,3S,5R)-3-acetyloxy-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methyl acetate

SMILES: C#C[C@]1(COC(C)=O)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1OC(C)=O

Canonical SMILES: CC(=O)OCC1(C(CC(O1)N2C=NC3=C(N=C(N=C32)F)N)OC(=O)C)C#C

分子式: C16H16FN5O5

分子量: 377.33

InChIKey: AWTGBYSSJLANAC-LYOVBCGYSA-N

InChI:

InChI=1S/C16H16FN5O5/c1-4-16(6-25-8(2)23)10(26-9(3)24)5-11(27-16)22-7-19-12-13(18)20-15(17)21-14(12)22/h1,7,10-11H,5-6H2,2-3H3,(H2,18,20,21)/t10-,11+,16+/m0/s1

PubChem CID: 86600781 →

同义词

SCHEMBL2518260AWTGBYSSJLANAC-LYOVBCGYSA-NPD2014053', 5'-di-O-acetyl-2'-deoxy-4'-C-ethynyl-2-fluoroadenosine3',5'-di-O-acetyl-2'-deoxy-4'-C-ethynyl-2-fluoroadenosine

参与 2 个反应→