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Search term: MF = 'C_{7}H_{9}NO_{6}S'
ChemSpider 2D Image | {[(3R)-3-(Carboxyamino)-2-oxobutanoyl]sulfanyl}acetic acid | C7H9NO6S

{[(3R)-3-(Carboxyamino)-2-oxobutanoyl]sulfanyl}acetic acid

  • Molecular FormulaC7H9NO6S
  • Average mass235.214 Da
  • Monoisotopic mass235.015060 Da
  • ChemSpider ID57533694

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[(3R)-3-(Carboxyamino)-2-oxobutanoyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[(3R)-3-(Carboxyamino)-2-oxobutanoyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(3R)-3-(carboxyamino)-1,2-dioxobutyl]thio]- [ACD/Index Name]
Acide {[(3R)-3-(carboxyamino)-2-oxobutanoyl]sulfanyl}acétique [French] [ACD/IUPAC Name]
(R)-2-((3-(Carboxyamino)-2-oxobutanoyl)thio)acetic acid
392235-55-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -4.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 150.7±3.0 cm3

Click to predict properties on the Chemicalize site


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