Molecule ID: 70678976

IUPAC Name: [(3aR,5R,6R,6aR)-6-hydroxy-2-oxido-2-oxo-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phsophate OH groups of alpha-D-ribose 1,2-cyclic phosphate 5-phosphate; major species at pH 7.3. It is a conjugate base of a 5-phospho-alpha-D-ribose cyclic-1,2-phosphate.

SMILES: O=P([O-])([O-])OC[C@H]1O[C@@H]2OP(=O)([O-])O[C@@H]2[C@@H]1O

SELFIES: [O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][C@H1][O][C@@H1][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C@@H1][Ring1][#Branch1][C@@H1][Ring1][#Branch2][O]

InChI: InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/p-3/t2-,3-,4-,5-/m1/s1

Molecular Properties:
- Polar Surface Area: 161.0 Ų
- LogP: -4.0