ChemSpider 2D Image | 5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL | C9H17NO6S

5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL

  • Molecular FormulaC9H17NO6S
  • Average mass267.299 Da
  • Monoisotopic mass267.077667 Da
  • ChemSpider ID26329694

  • 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,4S,5S)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-({[(2S,3S,4S,5S)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butansäure [German] [ACD/IUPAC Name]
5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL
Acide (2S)-2-amino-4-({[(2S,3S,4S,5S)-3,4,5-trihydroxytétrahydro-2-furanyl]méthyl}sulfanyl)butanoïque [French] [ACD/IUPAC Name]
α-D-Arabinofuranose, 5-S-[(3S)-3-amino-3-carboxypropyl]-5-thio- [ACD/Index Name]
(2S)-2-amino-4-({[(2S,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid

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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