HIT ID: HIT214433698
Cas No: 127820-68-2
分子式: C31H22Br2N4O8
分子量: 738.345
常用名: 3,6-Dibromo-1,5-dihydro-1-(2,3,5-tri-O-benzoyl-b-D-ribofuranosyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one
常用名: 3,6-Dibromo-1,5-dihydro-1-(2,3,5-tri-O-benzoyl-b-D-ribofuranosyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R,3R,4R,5R)-3,4-bis(benzoyloxy)-5-{3,6-dibromo-4-oxo-1H,4H,7H-pyrazolo[3,4-d]pyrimidin-1-yl}oxolan-2-yl]methyl benzoate
IUPAC: [(2R,3R,4R,5R)-3,4-bis(benzoyloxy)-5-{3,6-dibromo-4-oxo-1H,4H,7H-pyrazolo[3,4-d]pyrimidin-1-yl}oxolan-2-yl]methyl benzoate
SMILES: Brc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2[nH]c(Br)nc(=O)c12
SMILES: Brc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2[nH]c(Br)nc(=O)c12
InChI key: AQIVLCPMKNSFDU-TXJANDSUSA-N
