Molecule ID: 131801227

IUPAC Name: [(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl] dihydrogen phosphate

Description: The molecule is a C32 phosphomycoketide in which all five stereocentres have S-configuration. It derives from a C32 mycoketide. It is a conjugate acid of a phosphomycoketide C32(2-).

SMILES: CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)O

SELFIES: [C][C][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29-,30-,31-,32-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 13.4