ChemSpider 2D Image | 2-Deoxy-2-{[3-(3-methyl-3H-diaziren-3-yl)propanoyl]amino}-D-mannose | C11H19N3O6

2-Deoxy-2-{[3-(3-methyl-3H-diaziren-3-yl)propanoyl]amino}-D-mannose

  • Molecular FormulaC11H19N3O6
  • Average mass289.285 Da
  • Monoisotopic mass289.127380 Da
  • ChemSpider ID78317285

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Deoxy-2-{[3-(3-methyl-3H-diaziren-3-yl)propanoyl]amino}-D-mannose [ACD/IUPAC Name]
2-Desoxy-2-{[3-(3-methyl-3H-diaziren-3-yl)propanoyl]amino}-D-mannose [German] [ACD/IUPAC Name]
2-Désoxy-2-{[3-(3-méthyl-3H-diazirén-3-yl)propanoyl]amino}-D-mannose [French] [ACD/IUPAC Name]
D-Mannose, 2-deoxy-2-[[3-(3-methyl-3H-diazirin-3-yl)-1-oxopropyl]amino]- [ACD/Index Name]
1015698-41-5 [RN]
3-(3-Methyl-3H-diazirin-3-yl)-N-((2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)propanamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.85
Polar Surface Area: 152 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 183.6±7.0 cm3

Click to predict properties on the Chemicalize site


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