ChemSpider 2D Image | N~2~-Acetyl-S-(isobutoxycarbonyl)-N-[2-(nitrooxy)ethyl]-L-cysteinamide | C12H21N3O7S

N2-Acetyl-S-(isobutoxycarbonyl)-N-[2-(nitrooxy)ethyl]-L-cysteinamide

  • Molecular FormulaC12H21N3O7S
  • Average mass351.376 Da
  • Monoisotopic mass351.110016 Da
  • ChemSpider ID23133697

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Carbonothioic acid, S-[(2R)-2-(acetylamino)-3-[[2-(nitrooxy)ethyl]amino]-3-oxopropyl] O-(2-methylpropyl) ester [ACD/Index Name]
N2-Acetyl-S-(isobutoxycarbonyl)-N-[2-(nitrooxy)ethyl]-L-cysteinamid [German] [ACD/IUPAC Name]
N2-Acetyl-S-(isobutoxycarbonyl)-N-[2-(nitrooxy)ethyl]-L-cysteinamide [ACD/IUPAC Name]
N2-Acétyl-S-(isobutoxycarbonyl)-N-[2-(nitrooxy)éthyl]-L-cystéinamide [French] [ACD/IUPAC Name]
N2-acetyl-S-[(2-methylpropoxy)carbonyl]-N-[2-(nitrooxy)ethyl]-L-cysteinamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL289332/
Thiocarbonic acid [(R)-2-acetylamino-2-(2-nitrooxy-ethylcarbamoyl)-ethyl] ester isobutyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.509
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 11.03
ACD/KOC (pH 5.5): 194.08
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 11.03
ACD/KOC (pH 7.4): 194.08
Polar Surface Area: 165 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 275.8±3.0 cm3

Click to predict properties on the Chemicalize site


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