ChemSpider 2D Image | N-sec-Butyl-N-[(2-chloroethyl)(nitroso)carbamoyl]-4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosylamine | C19H34ClN3O12

N-sec-Butyl-N-[(2-chloroethyl)(nitroso)carbamoyl]-4-O-α-D-glucopyranosyl-β-D-glucopyranosylamine

  • Molecular FormulaC19H34ClN3O12
  • Average mass531.939 Da
  • Monoisotopic mass531.183105 Da
  • ChemSpider ID111900
  • defined stereocentres - 10 of 11 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-sec-Butyl-N-[(2-chlorethyl)(nitroso)carbamoyl]-4-O-α-D-glucopyranosyl-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-sec-Butyl-N-[(2-chloroethyl)(nitroso)carbamoyl]-4-O-α-D-glucopyranosyl-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-sec-Butyl-N-[(2-chloroéthyl)(nitroso)carbamoyl]-4-O-α-D-glucopyranosyl-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-4-O-α-D-glucopyranosyl-N-(1-methylpropyl)- [ACD/Index Name]
1-(2-Chloroethyl)-3-isobutyl-3-(β-maltosyl)-1-nitrosourea
2-(3-(2-Chloroethyl)-1-isobutyl-3-nitrosoureido)-2-deoxy-β-maltose
70189-62-7 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TA 077 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 748.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 406.6±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.77
Polar Surface Area: 222 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 309.9±7.0 cm3

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