ChemSpider 2D Image | N-Acetyl-S-[1-hydroxy(~2~H_6_)-3-buten-2-yl]-D-cysteine | C9H9D6NO4S

N-Acetyl-S-[1-hydroxy(2H6)-3-buten-2-yl]-D-cysteine

  • Molecular FormulaC9H9D6NO4S
  • Average mass239.322 Da
  • Monoisotopic mass239.109833 Da
  • ChemSpider ID78076148

  • defined stereocentres - 1 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

D-Cysteine, N-acetyl-S-[1-(hydroxymethyl-d2)-2-propen-1-yl-1,2,3,3-d4]- [ACD/Index Name]
N-Acetyl-S-[1-hydroxy(2H6)-3-buten-2-yl]-D-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-[1-hydroxy(2H6)-3-buten-2-yl]-D-cysteine [ACD/IUPAC Name]
N-Acétyl-S-[1-hydroxy(2H6)-3-butén-2-yl]-D-cystéine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 185.0±3.0 cm3

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