Molecule ID: 52921634

IUPAC Name: [(2R,3S,4S)-5-[(2R,3R,4S,5R)-4-[[(2R,3S,4S)-5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentyl] [(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentoxy]oxolan-3-yl] hydrogen phosphate

Description: The molecule is a trimeric glycoside phosphate comprising three beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate repeating units that are joined to each other by phosphodiester linkages. It derives from a ribitol.

SMILES: O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H]2O)[C@H]1O

SELFIES: [O][=P][Branch1][C][O][Branch1][C][O][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][=Branch1][S][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][=C][O][C@H1][Ring2][Branch1][Ring2][O]

InChI: InChI=1S/C30H59O34P3/c31-1-16-22(43)23(44)28(60-16)54-4-10(34)20(41)14(38)8-58-66(50,51)64-27-18(3-33)62-30(25(27)46)56-6-12(36)21(42)15(39)9-59-67(52,53)63-26-17(2-32)61-29(24(26)45)55-5-11(35)19(40)13(37)7-57-65(47,48)49/h10-46H,1-9H2,(H,50,51)(H,52,53)(H2,47,48,49)/t10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 557.0 Ų
- LogP: -14.3