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Search term: 28287294 (Found by CSID)
ChemSpider 2D Image | N-Acetyl-S-[(2S,3R)-3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoyl]-L-cysteine | C13H21NO7S

N-Acetyl-S-[(2S,3R)-3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoyl]-L-cysteine

  • Molecular FormulaC13H21NO7S
  • Average mass335.373 Da
  • Monoisotopic mass335.103882 Da
  • ChemSpider ID28287294

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-Acetyl-S-[(2S,3R)-3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoyl]-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-[(2S,3R)-3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoyl]-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-[(2S,3R)-3-hydroxy-2-isopropyl-4-méthoxy-4-oxobutanoyl]-L-cystéine [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[[(2R)-2-(acetylamino)-2-carboxyethyl]thio]carbonyl]-2-hydroxy-4-methyl-, 1-methyl ester, (2R,3S)- [ACD/Index Name]
jbir-69

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 257.3±3.0 cm3

Click to predict properties on the Chemicalize site


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