ChemSpider 2D Image | (1S,2S,3S,4R,5S)-4-Amino-5-methoxy-1,2,3-cyclopentanetriol | C6H13NO4

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

  • Molecular FormulaC6H13NO4
  • Average mass163.172 Da
  • Monoisotopic mass163.084457 Da
  • ChemSpider ID77409133

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,3S,4R,5S)-4-Amino-5-methoxy-1,2,3-cyclopentanetriol [ACD/IUPAC Name]
(1S,2S,3S,4R,5S)-4-Amino-5-méthoxy-1,2,3-cyclopentanetriol [French] [ACD/IUPAC Name]
(1S,2S,3S,4R,5S)-4-Amino-5-methoxy-1,2,3-cyclopentantriol [German] [ACD/IUPAC Name]
1,2,3-Cyclopentanetriol, 4-amino-5-methoxy-, (1S,2S,3S,4R,5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 278.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.1±6.0 kJ/mol
Flash Point: 122.4±27.3 °C
Index of Refraction: 1.566
Molar Refractivity: 37.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.01
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 115.4±5.0 cm3

Click to predict properties on the Chemicalize site


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