Ingredients

3-[2-sulfooxyimino-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]indole-1-sulfonic acid

C16H20N2O12S3

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: 3-[2-sulfooxyimino-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethyl]indole-1-sulfonic acid
Molecular Formula: C16H20N2O12S3
Molecular Weight: No data
Canonical SMILES: C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2S(=O)(=O)O)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/b17-12-/t11-,13-,14+,15-,16+/m1/s1
Oral Bioavailability: 7.254
Drug Likeness: 0.104
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data