HIT ID: HIT218695691

Cas No: 172806-21-2

分子式: C18H15BrN5O6PS

分子量: 540.28

常用名: 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyl-tetrahydro-4H-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-4H-imidazo[1,2-a]purin-9-one, Sp-8-Br-PET-cGMPS

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 3-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyl-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-3H,4H,9H-imidazo[1,2-a]purin-9-one

SMILES: [H][C@@]12COP(S)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1c(Br)nc2c1[nH]c1nc(cn1c2=O)-c1ccccc1

InChI key: DBYADRPTMRXVDJ-QJYCJHSLSA-N