Molecule ID: 440211

IUPAC Name: [(1S,2R,3S,4S,5S,6S)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate

Description: The molecule is a myo-inositol bisphosphate. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of a 1D-myo-inositol 3,4-biphosphate(4-).

SMILES: O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1OP(=O)(O)O

SELFIES: [O][=P][Branch1][C][O][Branch1][C][O][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 214.0 Ų
- LogP: -5.9