Molecule ID: 46906052

IUPAC Name: [(2R)-2-hydroxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-phosphonooxyoxan-2-yl]ethyl] dihydrogen phosphate

Description: The molecule is d-glycero-alpha-D-manno-heptose in which the hydrogens of the hydroxy groups at positions 1 and 7 are substituted by dihydrogen phosphate groups. It is a conjugate acid of a D-glycero-alpha-D-manno-heptose 1,7-bisphosphate(4-).

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

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

InChI: InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 224.0 Ų
- LogP: -5.4