ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-[2-(dimethylamino)ethyl]-4-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-erythro-pentitol | C13H23N5O3

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

  • Molecular FormulaC13H23N5O3
  • Average mass297.353 Da
  • Monoisotopic mass297.180084 Da
  • ChemSpider ID35060544
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,5-Anhydro-2,4-dideoxy-3-O-[2-(dimethylamino)ethyl]-4-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-[2-(dimethylamino)ethyl]-4-{[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-[2-(diméthylamino)éthyl]-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-2,4-dideoxy-3-O-[2-(dimethylamino)ethyl]-4-[[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 520.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 241.4±5.0 cm3

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