ChemSpider 2D Image | Nojirimycin | C6H13NO5

Nojirimycin

  • Molecular FormulaC6H13NO5
  • Average mass179.171 Da
  • Monoisotopic mass179.079376 Da
  • ChemSpider ID21864922

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4S,5R,6R)-6-(Hydroxymethyl)-2,3,4,5-piperidinetetrol [ACD/IUPAC Name]
(3R,4S,5R,6R)-6-(Hydroxyméthyl)-2,3,4,5-pipéridinetétrol [French] [ACD/IUPAC Name]
(3R,4S,5R,6R)-6-(Hydroxymethyl)-2,3,4,5-piperidintetrol [German] [ACD/IUPAC Name]
2,3,4,5-Piperidinetetrol, 6-(hydroxymethyl)-, (3R,4S,5R,6R)- [ACD/Index Name]
Nojirimycin
(3R,4S,5R,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
15218-38-9 [RN]
5-amino-5-deoxy-D-glucopyranose

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

Density: 1.6±0.1 g/cm3
Boiling Point: 394.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 214.3±18.5 °C
Index of Refraction: 1.634
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 113 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 109.0±3.0 cm3

Click to predict properties on the Chemicalize site


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