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Substance Name: 2-((3-Chloroethyl)-3-nitrosoureido)glucopyranose
RN: 70866-07-8
InChIKey: MYBLAOJMRYYKMS-RTRLPJTCSA-N

Molecular Formula

  • C9-H16-Cl-N3-O7

Molecular Weight

  • 313.6924
 
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Names and Synonyms

Name of Substance

  • 2-((3-Chloroethyl)-3-nitrosoureido)glucopyranose

Synonym

  • 2-(((2-(Chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-D-glucopyranose

Systematic Name

  • D-Glucopyranose, 2-(((2-(chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-

Registry Numbers

CAS Registry Number

  • 70866-07-8

System Generated Number

  • 0070866078

Structure Descriptors

InChI

1S/C9H16ClN3O7/c10-1-2-13(12-19)9(18)11-5-7(16)6(15)4(3-14)20-8(5)17/h4-8,14-17H,1-3H2,(H,11,18)/t4-,5-,6-,7-,8?/m1/s1

InChIKey

MYBLAOJMRYYKMS-RTRLPJTCSA-N

Smiles

C(CCl)N(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)N=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.66 (none)   EXP
Water Solubility 1830 mg/L 25 EST
Vapor Pressure 3.98E-14 mm Hg 25 EST
Henry's Law Constant 3.67E-22 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.