ChemSpider 2D Image | (1R,2S,3S,4R,5R)-4-(Cyclohexylamino)-5-(hydroxymethyl)-1,2,3-cyclopentanetriol | C12H23NO4

(1R,2S,3S,4R,5R)-4-(Cyclohexylamino)-5-(hydroxymethyl)-1,2,3-cyclopentanetriol

  • Molecular FormulaC12H23NO4
  • Average mass245.315 Da
  • Monoisotopic mass245.162704 Da
  • ChemSpider ID35035748

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3S,4R,5R)-4-(Cyclohexylamino)-5-(hydroxymethyl)-1,2,3-cyclopentanetriol [ACD/IUPAC Name]
(1R,2S,3S,4R,5R)-4-(Cyclohexylamino)-5-(hydroxyméthyl)-1,2,3-cyclopentanetriol [French] [ACD/IUPAC Name]
(1R,2S,3S,4R,5R)-4-(Cyclohexylamino)-5-(hydroxymethyl)-1,2,3-cyclopentantriol [German] [ACD/IUPAC Name]
(1r,2s,3s,4r,5r)-4-(Cyclohexylamino)-5-(Hydroxymethyl)cyclopentane-1,2,3-Triol
1,2,3-Cyclopentanetriol, 4-(cyclohexylamino)-5-(hydroxymethyl)-, (1R,2S,3S,4R,5R)- [ACD/Index Name]
C1K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 414.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 153.5±19.3 °C
Index of Refraction: 1.577
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 190.8±5.0 cm3

Click to predict properties on the Chemicalize site


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