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

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-erythro-pentitol

  • Molecular FormulaC11H16N4O5
  • Average mass284.268 Da
  • Monoisotopic mass284.112061 Da
  • ChemSpider ID35087785

  • 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-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxymethyl)-2,4-didesoxy-4-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxyméthyl)-2,4-didésoxy-4-{[(5-méthyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino]- [ACD/Index Name]
[(cis-3-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}tetrahydro-2H-pyran-4-yl)oxy]acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 196.8±5.0 cm3

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