Molecule ID: 49792055

IUPAC Name: (2R,4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-4-phosphonooxy-2-prop-2-enoxyoxane-2-carboxylic acid

Description: The molecule is the 1-O-allyl-4-phospho derivative of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid. It is an aldooctose phosphate, a monocarboxylic acid and a carbohydrate acid derivative. It derives from a 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid.

SMILES: C=CCO[C@]1(C(=O)O)C[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H](O)CO)O1

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

InChI: InChI=1S/C11H19O11P/c1-2-3-20-11(10(15)16)4-7(22-23(17,18)19)8(14)9(21-11)6(13)5-12/h2,6-9,12-14H,1,3-5H2,(H,15,16)(H2,17,18,19)/t6-,7-,8-,9-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 183.0 Ų
- LogP: -2.8