ChemSpider 2D Image | (3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinyl hydrogen sulfate | C6H13NO8S

(3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinyl hydrogen sulfate

  • Molecular FormulaC6H13NO8S
  • Average mass259.234 Da
  • Monoisotopic mass259.036194 Da
  • ChemSpider ID29419360

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinyl hydrogen sulfate [ACD/IUPAC Name]
(3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinylhydrogensulfat [German] [ACD/IUPAC Name]
2,3,4,5-Piperidinetetrol, 6-(hydroxymethyl)-, 2-(hydrogen sulfate), (3R,4S,5R,6R)- [ACD/Index Name]
Hydrogénosulfate de (3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)-2-pipéridinyle [French] [ACD/IUPAC Name]
62770-70-1 [RN]
Nojirimycin-1-Sulfonic Acid

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 49.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -5.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 119.5±5.0 dyne/cm
Molar Volume: 134.3±5.0 cm3

Click to predict properties on the Chemicalize site


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