Molecule ID: 121225520

IUPAC Name: [(2S,5S)-5-hydroxyoxolan-2-yl]methyl [(2R,3S,5S)-5-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Description: The molecule is a 2-deoxyribose bisphosphate that is 2-deoxy-alpha-D-ribofuranose 3,5-bisphosphate in which the phosphate group at position 3 is esterfied by a 2,3-dideoxy-alpha-D-ribofuranos-5-yl group. It has a role as a Mycoplasma genitalium metabolite.

SMILES: O=P(O)(O)OC[C@H]1O[C@H](O)C[C@@H]1OP(=O)(O)OC[C@@H]1CC[C@@H](O)O1

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

InChI: InChI=1S/C10H20O12P2/c11-9-2-1-6(20-9)4-19-24(16,17)22-7-3-10(12)21-8(7)5-18-23(13,14)15/h6-12H,1-5H2,(H,16,17)(H2,13,14,15)/t6-,7-,8+,9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 181.0 Ų
- LogP: -3.3