Molecule ID: 86289405

IUPAC Name: (2R,4R,5R,6R)-6-[(1S)-1-azido-2-hydroxyethyl]-4,5-dihydroxy-2-prop-2-enoxyoxane-2-carboxylate

Description: The molecule is the carbohydrate acid derivative anion formed from (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group. It is a conjugate base of an (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid.

SMILES: C=CCO[C@]1(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](CO)N=[N+]=[N-])O1

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

InChI: InChI=1S/C11H17N3O7/c1-2-3-20-11(10(18)19)4-7(16)8(17)9(21-11)6(5-15)13-14-12/h2,6-9,15-17H,1,3-5H2,(H,18,19)/p-1/t6-,7+,8+,9+,11+/m0/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 0.0