beta-D-Glucopyranosiduronic acid, alpha-cyanobenzyl

Base Information

• Chemical Name: beta-D-Glucopyranosiduronic acid, alpha-cyanobenzyl
• CAS No.: 1332-94-1
• Molecular Formula: C14H15 N O7
• Molecular Weight: 309.30
• Hs Code.: 3004500000
• NSC Number: 103055
• DSSTox Substance ID: DTXSID30927998
• Mol file: 1332-94-1.mol

Synonyms:beta-D-Glucopyranosiduronic acid, alpha-cyanobenzyl;1332-94-1;6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyano(phenyl)methyl hexopyranosiduronic acid;NSC103055;Mandelonitrile beta-glucuronide;DTXSID30927998;l-Mandelonitrile-.beta.-glucuronoside;NSC-103055;L-Mandelonitrile-.beta.-glucuronic acid;.beta.-D-Glucopyranosiduronic acid, (R)-;Cyanophenylmethyl-.beta.-D-glucopyranosiduronic acid;.beta.-D-Glucopyranosiduronic acid, .alpha.-cyanobenzyl

Chemical Property of beta-D-Glucopyranosiduronic acid, alpha-cyanobenzyl

Chemical Property:

• Vapor Pressure: 2.41E-14mmHg at 25°C
• Melting Point: 215°C
• Refractive Index: 1.634
• Boiling Point: 581.1°Cat760mmHg
• PKA: 2.75±0.70(Predicted)
• Flash Point: 305.2°C
• PSA: 140.24000
• Density: 1.55g/cm³
• LogP: -0.83992
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 309.08485182
• Heavy Atom Count: 22
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)C(=O)O)O)O)O