ChemSpider 2D Image | (2s)-2-Amino-4-({[(2s,3s,4r,5s)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]methyl}sulfanyl)butanoic Acid | C9H17NO6S

(2s)-2-Amino-4-({[(2s,3s,4r,5s)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]methyl}sulfanyl)butanoic Acid

  • Molecular FormulaC9H17NO6S
  • Average mass267.299 Da
  • Monoisotopic mass267.077667 Da
  • ChemSpider ID35034978

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-Amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butansäure (non-preferred name) [German] [ACD/IUPAC Name]
(2s)-2-Amino-4-({[(2s,3s,4r,5s)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]methyl}sulfanyl)butanoic Acid
Acide (2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytétrahydro-2-furanyl]méthyl}sulfanyl)butanoïque (non-preferred name) [French] [ACD/IUPAC Name]
α-D-Ribofuranose, 5-S-[(3S)-3-amino-3-carboxypropyl]-5-thio- [ACD/Index Name]
2WP

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

Density: 1.6±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 61.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 78.4±3.0 dyne/cm
Molar Volume: 170.5±3.0 cm3

Click to predict properties on the Chemicalize site


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