HIT ID: HIT212671027
Cas No: 1039623-01-2
分子式: C26H38N5O12P
分子量: 643.587
常用名: LB-80380 maleate salt
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 3.340205
IUPAC: (2Z)-but-2-enedioic acid; {[({1-[(2-amino-9H-purin-9-yl)methyl]cyclopropoxy}methyl)({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl]oxy}methyl 2,2-dimethylpropanoate
IUPAC: (2Z)-but-2-enedioic acid; {[({1-[(2-amino-9H-purin-9-yl)methyl]cyclopropoxy}methyl)({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl]oxy}methyl 2,2-dimethylpropanoate
SMILES: OC(=O)\C=C/C(O)=O.CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc23)CC1)OCOC(=O)C(C)(C)C
SMILES: OC(=O)\C=C/C(O)=O.CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3cnc(N)nc23)CC1)OCOC(=O)C(C)(C)C
InChI key: DXUDWHZKSUFXKH-BTJKTKAUSA-N
