2-Chloro-4-nitrophenyl-beta-D-lactoside

Base Information

• Chemical Name: 2-Chloro-4-nitrophenyl-beta-D-lactoside
• CAS No.: 120583-41-7
• Molecular Formula: C18H24 Cl N O13
• Molecular Weight: 497.84
• DSSTox Substance ID: DTXSID80583467
• Nikkaji Number: J2.128.206E
• Wikidata: Q72455977
• Mol file: 120583-41-7.mol

Synonyms:120583-41-7;2-Chloro-4-nitrophenyl-beta-D-lactoside;2-Chloro-4-nitrophenyl b-D-lactoside;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;b-D-Glucopyranoside, 2-chloro-4-nitrophenyl 4-O-b-D-galactopyranosyl-;Gal-b-1,4-Glc-b-CNP;RFGBZYLCQCJGOG-MUKCROHVSA-N;DTXSID80583467;2-Chloro-4-nitrophenyl-beta-D-lactoside?;2-Chloro-4-nitrophenyl- beta -D-lactoside;W-200943;2-Chloro-4-nitrophenyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside;(2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Chemical Property of 2-Chloro-4-nitrophenyl-beta-D-lactoside

Chemical Property:

• Vapor Pressure: 3.83E-27mmHg at 25°C
• Refractive Index: 1.677
• Boiling Point: 801.9oC at 760 mmHg
• PKA: 12.44±0.70(Predicted)
• Flash Point: 438.8oC
• PSA: 224.35000
• Density: 1.75g/cm3
• LogP: -2.22570
• Storage Temp.: 2-8°C
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 497.0936175
• Heavy Atom Count: 33
• Complexity: 655

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4-nitrophenyl b-D-lactoside ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O