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ChemSpider 2D Image | (3R,4S,5R)-2-(Hydroxymethyl)-6-methyl-3,4,5-piperidinetriol | C7H15NO4

(3R,4S,5R)-2-(Hydroxymethyl)-6-methyl-3,4,5-piperidinetriol

  • Molecular FormulaC7H15NO4
  • Average mass177.198 Da
  • Monoisotopic mass177.100113 Da
  • ChemSpider ID23160675

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3R,4S,5R)-2-(Hydroxymethyl)-6-methyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(3R,4S,5R)-2-(Hydroxyméthyl)-6-méthyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(3R,4S,5R)-2-(Hydroxymethyl)-6-methyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
(3R,4S,5R)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-6-methyl-, (3R,4S,5R)- [ACD/Index Name]
(3R,4S,5R)-2-Hydroxymethyl-6-methyl-piperidine-3,4,5-triol
2089595-82-2 [RN]
CHEMBL69294

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

Density: 1.3±0.1 g/cm3
Boiling Point: 355.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.5±6.0 kJ/mol
Flash Point: 177.4±18.5 °C
Index of Refraction: 1.551
Molar Refractivity: 42.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 93 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 132.0±3.0 cm3

Click to predict properties on the Chemicalize site


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