Molecule ID: 3477612

IUPAC Name: (4-bromo-3-hydroxy-3-methylbutyl) phosphono hydrogen phosphate

Description: The molecule is an alkyl diphosphate having bromohydrin as the alkyl group. It has a role as a phosphoantigen. It is an alkyl diphosphate and an organobromine compound.

SMILES: CC(O)(CBr)CCOP(=O)(O)OP(=O)(O)O

SELFIES: [C][C][Branch1][C][O][Branch1][Ring1][C][Br][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -2.0