ChemSpider 2D Image | 1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[(2H-1,2,3-triazol-2-ylacetyl)amino]-D-erythro-pentitol | C11H16N4O5

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[(2H-1,2,3-triazol-2-ylacetyl)amino]-D-erythro-pentitol

  • Molecular FormulaC11H16N4O5
  • Average mass284.268 Da
  • Monoisotopic mass284.112061 Da
  • ChemSpider ID35085927

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[(2H-1,2,3-triazol-2-ylacetyl)amino]-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxymethyl)-2,4-didesoxy-4-[(2H-1,2,3-triazol-2-ylacetyl)amino]-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxyméthyl)-2,4-didésoxy-4-{[2-(2H-1,2,3-triazol-2-yl)acétyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[[2-(2H-1,2,3-triazol-2-yl)acetyl]amino]- [ACD/Index Name]

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: 1.650
Molar Refractivity: 66.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 182.5±7.0 cm3

Click to predict properties on the Chemicalize site


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