HIT ID: HIT218695585

Cas No: 510774-50-2

分子式: C17H17ClN5O6PS

分子量: 485.84

常用名: (4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]purin-9-yl}-2-hydroxy-7-methoxy-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, 8-CPT-2'-O-Me-cAMP

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-2-hydroxy-7-methoxy-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-2-one

SMILES: CO[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc12

InChI key: BCGHHRAUZWOTNH-XNIJJKJLSA-N