ChemSpider 2D Image | 1,5-Anhydro-3-{[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]amino}-3,4-dideoxy-2-O-(6-methyl-3-pyridinyl)-D-erythro-pentitol | C16H20ClN5O3

1,5-Anhydro-3-{[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]amino}-3,4-dideoxy-2-O-(6-methyl-3-pyridinyl)-D-erythro-pentitol

  • Molecular FormulaC16H20ClN5O3
  • Average mass365.815 Da
  • Monoisotopic mass365.125458 Da
  • ChemSpider ID35087469

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-3-{[3-(3-chlor-1H-1,2,4-triazol-5-yl)propanoyl]amino}-3,4-didesoxy-2-O-(6-methyl-3-pyridinyl)-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-{[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]amino}-3,4-dideoxy-2-O-(6-methyl-3-pyridinyl)-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-{[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]amino}-3,4-didésoxy-2-O-(6-méthyl-3-pyridinyl)-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-[[3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-oxopropyl]amino]-3,4-dideoxy-2-O-(6-methyl-3-pyridinyl)- [ACD/Index Name]
1,5-anhydro-3-{[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]amino}-3,4-dideoxy-2-O-(6-methylpyridin-3-yl)-D-erythro-pentitol

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 57.11
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 65.97
Polar Surface Area: 102 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement