Gcdip
(2S,3S,4S,5R,6S)-6-[5-(4-chlorophenyl)-3-propan-2-yliminophenazin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: GCDIP|KST-1A8575|(2S,3S,4S,5R,6S)-6-[5-(4-chlorophenyl)-3-propan-2-yliminophenazin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|(3e)-5-(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-yl |A-d-glucopyranosiduronic acid|3-(beta-D-Glucopyranosiduronic acid)-10-(4-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazine|3-(beta-D-Glucopyranosiduronic acid)-10-(p-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazine|beta-D-Glucopyranosiduronic acid, 5-(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-2-phenazinyl
| Molecular Formula | C27H26ClN3O7 |
|---|---|
| Molecular Weight | 539.14594 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.14594 |
| Monoisotopic Mass | 539.14594 |
| Heavy Atoms | 38 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 85-33-6 |
|---|---|
| SMILES | CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | BFXFTNXMNRQSRU-GAYSTUHSSA-N |
Product Overview
Gcdip (CAS 85-33-6), with molecular formula C27H26ClN3O7 and molecular weight 539.14594 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[5-(4-chlorophenyl)-3-propan-2-yliminophenazin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.