Molecule ID: 86289956

IUPAC Name: [(2R,3S,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl] [(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl] hydrogen phosphate

Description: The molecule is a member of the class of agrocinopines that consists of beta-D-fructose and L-arabinose units joined via a phosphodiester linkage between position 4 of fructose and position 2 of arabinose. It has a role as a plant metabolite. It derives from a beta-D-fructofuranose and a L-arabinopyranose.

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

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

InChI: InChI=1S/C11H21O13P/c12-1-5-7(9(16)11(18,3-13)22-5)23-25(19,20)24-8-6(15)4(14)2-21-10(8)17/h4-10,12-18H,1-3H2,(H,19,20)/t4-,5+,6-,7+,8+,9-,10?,11+/m0/s1

Molecular Properties:
- Polar Surface Area: 216.0 Ų
- LogP: -5.5