1-(2-Chloroethyl)-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-1-nitrosourea

Base Information

• Chemical Name: 1-(2-Chloroethyl)-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-1-nitrosourea
• CAS No.: 74751-37-4
• Molecular Formula: C16H24 Cl N3 O10
• Molecular Weight: 453.83
• Nikkaji Number: J1.586.798A
• Wikidata: Q76155665
• Mol file: 74751-37-4.mol

Synonyms:NSC 264402;BRN 5671527;74751-37-4;1-(2-Chloroethyl)-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-1-nitrosourea;Urea, 1-(2-chloroethyl)-1-nitro-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-;C16H24ClN3O10;C16-H24-Cl-N3-O10;LS-159476;Methyl 3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-O,4-O,6-O-triacetyl-3-deoxy-beta-D-glucopyranoside

Chemical Property of 1-(2-Chloroethyl)-3-(3-deoxy-1-O-methyl-2,4,6-tri-O-acetyl-D-glucopyranos-3-yl)-1-nitrosourea

Chemical Property:

• PSA: 159.13000
• Density: 1.48g/cm³
• LogP: 0.47550
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 453.1150217
• Heavy Atom Count: 30
• Complexity: 649

Purity/Quality:

99% ^*data from raw suppliers

1-(2-CHLOROETHYL)-3-(3-DEOXY-1-O-METHYL-2,4,6-TRI-O-ACETYL-D-GLUCOPYRA NOS-3-YL)-1-NITROSOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C