ChemSpider 2D Image | (3R,4R)-2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol | C7H15NO4

(3R,4R)-2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol

  • Molecular FormulaC7H15NO4
  • Average mass177.198 Da
  • Monoisotopic mass177.100113 Da
  • ChemSpider ID58785152

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3R,4R)-2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(3R,4R)-2-(Hydroxyméthyl)-1-méthyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(3R,4R)-2-(Hydroxymethyl)-1-methyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-methyl-, (3R,4R)- [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: 367.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 220.3±26.5 °C
Index of Refraction: 1.581
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 127.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement