ChemSpider 2D Image | ircisulfamide | C34H69NO7S

ircisulfamide

  • Molecular FormulaC34H69NO7S
  • Average mass635.979 Da
  • Monoisotopic mass635.479492 Da
  • ChemSpider ID10480681

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,3S,4R)-1,3-Dihydroxy-2-(palmitoylamino)-4-octadecanyl hydrogen sulfate [ACD/IUPAC Name]
(2S,3S,4R)-1,3-Dihydroxy-2-(palmitoylamino)-4-octadecanylhydrogensulfat [German] [ACD/IUPAC Name]
Hexadecanamide, N-[(1S,2S,3R)-2-hydroxy-1-(hydroxymethyl)-3-(sulfooxy)heptadecyl]- [ACD/Index Name]
hexadecanimidic acid, N-[(1S,2S,3R)-2-hydroxy-1-(hydroxymethyl)-3-(sulfooxy)heptadecyl]-, (1Z)-
Hydrogénosulfate de (2S,3S,4R)-1,3-dihydroxy-2-(palmitoylamino)-4-octadécanyle [French] [ACD/IUPAC Name]
ircisulfamide

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.490
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.23
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 51214.06
ACD/KOC (pH 5.5): 8276.11
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 51213.89
ACD/KOC (pH 7.4): 8276.08
Polar Surface Area: 142 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 616.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement