Molecule ID: 24883442

IUPAC Name: (5-methyl-2-prop-1-en-2-ylhex-4-enyl) phosphono hydrogen phosphate

Description: The molecule is the O-diphospho derivative of lavandulol. It derives from a lavandulol. It is a conjugate acid of a lavandulyl diphosphate(3-).

SMILES: C=C(C)C(CC=C(C)C)COP(=O)(O)OP(=O)(O)O

SELFIES: [C][=C][Branch1][C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C10H20O7P2/c1-8(2)5-6-10(9(3)4)7-16-19(14,15)17-18(11,12)13/h5,10H,3,6-7H2,1-2,4H3,(H,14,15)(H2,11,12,13)

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 0.8