ChemSpider 2D Image | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE | C7H13NO3

1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE

  • Molecular FormulaC7H13NO3
  • Average mass159.183 Da
  • Monoisotopic mass159.089539 Da
  • ChemSpider ID26329560

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,3S)-3-Amino-5-(hydroxymethyl)-4-cyclohexen-1,2-diol [German] [ACD/IUPAC Name]
(1R,2R,3S)-3-Amino-5-(hydroxymethyl)-4-cyclohexene-1,2-diol [ACD/IUPAC Name]
(1R,2R,3S)-3-Amino-5-(hydroxyméthyl)-4-cyclohexène-1,2-diol [French] [ACD/IUPAC Name]
1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE
4-Cyclohexene-1,2-diol, 3-amino-5-(hydroxymethyl)-, (1R,2R,3S)- [ACD/Index Name]
(1R,2R,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 338.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.4±6.0 kJ/mol
Flash Point: 158.7±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.48
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 117.9±3.0 cm3

Click to predict properties on the Chemicalize site


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