13-cis-Retinoyl-beta-glucuronide

Base Information

• Chemical Name: 13-cis-Retinoyl-beta-glucuronide
• CAS No.: 78147-42-9
• Molecular Formula: C26H36 O8
• Molecular Weight: 476.56
• Hs Code.: 29389090
• Mol file: 78147-42-9.mol

Synonyms:13-cis-Retinoyl-beta-glucuronide;78147-42-9;(2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;beta-D-Glucopyranuronic acid, 1-(13-cis-retinoate);13-cis Retinoyl beta-D-Glucuronide, >85per cent By HPLC;C26-H36-O8;13-cis Retinoyl beta -D-Glucuronide

Chemical Property of 13-cis-Retinoyl-beta-glucuronide

Chemical Property:

• Vapor Pressure: 7.73E-21mmHg at 25°C
• Boiling Point: 670.4°C at 760 mmHg
• Flash Point: 220.1°C
• PSA: 116.45000
• Density: 1.24g/cm³
• LogP: 3.42680
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 476.24101810
• Heavy Atom Count: 34
• Complexity: 921

Purity/Quality:

98% ^*data from raw suppliers

13-cis-Retinoyl b-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)\C)/C
• Uses: A metabolite of 13-cis-Retinoic acid A metabolite of 13-cis-Retinoic acid.