ChemSpider 2D Image | (1R,2R,3S,4R,5R)-4-Amino-5-(methylsulfanyl)-1,2,3-cyclopentanetriol | C6H13NO3S

(1R,2R,3S,4R,5R)-4-Amino-5-(methylsulfanyl)-1,2,3-cyclopentanetriol

  • Molecular FormulaC6H13NO3S
  • Average mass179.237 Da
  • Monoisotopic mass179.061615 Da
  • ChemSpider ID61400384

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3S,4R,5R)-4-Amino-5-(methylsulfanyl)-1,2,3-cyclopentanetriol [ACD/IUPAC Name]
(1R,2R,3S,4R,5R)-4-Amino-5-(méthylsulfanyl)-1,2,3-cyclopentanetriol [French] [ACD/IUPAC Name]
(1R,2R,3S,4R,5R)-4-Amino-5-(methylsulfanyl)-1,2,3-cyclopentantriol [German] [ACD/IUPAC Name]
1,2,3-Cyclopentanetriol, 4-amino-5-(methylthio)-, (1R,2R,3S,4R,5R)- [ACD/Index Name]
1932193-35-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 329.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.3±6.0 kJ/mol
Flash Point: 153.0±27.9 °C
Index of Refraction: 1.632
Molar Refractivity: 43.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 123.1±5.0 cm3

Click to predict properties on the Chemicalize site


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