ChemSpider 2D Image | (2S)-2-Amino-3-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)propanoic acid | C8H15NO6S

(2S)-2-Amino-3-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)propanoic acid

  • Molecular FormulaC8H15NO6S
  • Average mass253.273 Da
  • Monoisotopic mass253.062012 Da
  • ChemSpider ID23269867

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-Amino-3-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-3-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)propansäure [German] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)propanoic acid (non-preferred name)
Acide (2S)-2-amino-3-({[(2S,3S,4R,5R)-3,4,5-trihydroxytétrahydro-2-furanyl]méthyl}sulfanyl)propanoïque [French] [ACD/IUPAC Name]
β-D-Ribofuranose, 5-S-[(2S)-2-amino-2-carboxyethyl]-5-thio- [ACD/Index Name]
CHEMBL383729
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL383729/
S-ribosylcysteine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 532.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 275.8±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 85.0±3.0 dyne/cm
Molar Volume: 154.0±3.0 cm3

Click to predict properties on the Chemicalize site


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