Name: LB-80380 maleate salt
Rating: 5 (10 reviews)

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HIT ID:HIT212671027
Cas No:1039623-01-2
常用名:LB-80380 maleate salt
别名:LB 80380 maleate salt
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
InChI key:DXUDWHZKSUFXKH-BTJKTKAUSA-N

分子式:C26H38N5O12P
分子量:643.587
氢键供体数 (HBD):1
氢键受体数 (HBA):8
LogP:3.340205
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

LB-80380 maleate salt, a novel phosphonate nucleoside, is for the potential treatment of HBV infection.

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