ChemSpider 2D Image | N-[(E)-2-Carboxyvinyl]-3-sulfino-D-valine | C8H13NO6S

N-[(E)-2-Carboxyvinyl]-3-sulfino-D-valine

  • Molecular FormulaC8H13NO6S
  • Average mass251.257 Da
  • Monoisotopic mass251.046356 Da
  • ChemSpider ID32701716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S,2E)-3-((1-carboxy-2-methyl-2-sulfinopropyl)amino)prop-2-enoic acid
D-Valine, N-[(E)-2-carboxyethenyl]-3-sulfino- [ACD/Index Name]
N-[(E)-2-Carboxyvinyl]-3-sulfino-D-valin [German] [ACD/IUPAC Name]
N-[(E)-2-Carboxyvinyl]-3-sulfino-D-valine [ACD/IUPAC Name]
N-[(E)-2-Carboxyvinyl]-3-sulfino-D-valine [French] [ACD/IUPAC Name]
(2S)-2-(((E)-2-Carboxyvinyl)amino)-3-methyl-3-sulfinobutanoic acid
3-((1-CARBOXY-2-METHYL-2-SULFINOPROPYL)AMINO)PROP-2-ENOIC ACID, (1S,2E)-

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

YGV79PC31U [DBID]
UNII:YGV79PC31U [DBID]
UNII-YGV79PC31U [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 588.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 309.4±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 56.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 159.7±3.0 cm3

Click to predict properties on the Chemicalize site


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