ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-(2-hydroxyethyl)-4-[({1-[2-(1-piperazinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)amino]-D-erythro-pentitol | C16H28N6O4

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

  • Molecular FormulaC16H28N6O4
  • Average mass368.431 Da
  • Monoisotopic mass368.217194 Da
  • ChemSpider ID35058586

  • 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-hydroxyethyl)-4-[({1-[2-(1-piperazinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)amino]-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-(2-hydroxyethyl)-4-[({1-[2-(1-piperazinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)amino]-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-(2-hydroxyéthyl)-4-[({1-[2-(1-pipérazinyl)éthyl]-1H-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-hydroxyethyl)-4-[[[1-[2-(1-piperazinyl)ethyl]-1H-1,2,3-triazol-4-yl]carbonyl]amino]- [ACD/Index Name]
1,5-anhydro-2,4-dideoxy-3-O-(2-hydroxyethyl)-4-({[1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)-D-erythro-pentitol

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -2.68
ACD/LogD (pH 5.5): -4.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 252.6±7.0 cm3

Click to predict properties on the Chemicalize site


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