ChemSpider 2D Image | 3-({[(2R)-2-Hydroxypropanoyl]sulfanyl}methyl)aspartic acid | C8H13NO6S

3-({[(2R)-2-Hydroxypropanoyl]sulfanyl}methyl)aspartic acid

  • Molecular FormulaC8H13NO6S
  • Average mass251.257 Da
  • Monoisotopic mass251.046356 Da
  • ChemSpider ID25032060

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-({[(2R)-2-Hydroxypropanoyl]sulfanyl}methyl)asparaginsäure [German] [ACD/IUPAC Name]
3-({[(2R)-2-Hydroxypropanoyl]sulfanyl}methyl)aspartic acid [ACD/IUPAC Name]
Acide 3-({[(2R)-2-hydroxypropanoyl]sulfanyl}méthyl)aspartique [French] [ACD/IUPAC Name]
Aspartic acid, 3-[[[(2R)-2-hydroxy-1-oxopropyl]thio]methyl]- [ACD/Index Name]
(R)-S-Lactoylglutathione
D-lactoylglutathione
PCMB
S-D-Lactoylglutathione
S-D-Lactoyl-glutathione
s-lactate glutathione
More...

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

USAF D-3 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 412.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 203.5±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 163.2±3.0 cm3

Click to predict properties on the Chemicalize site


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