Found 15 results

Search term: MF = 'C_{23}H_{45}N_{3}O_{3}'
ChemSpider 2D Image | (2S,3S,4R)-2-(4-Propyl-1H-1,2,3-triazol-1-yl)-1,3,4-octadecanetriol | C23H45N3O3

(2S,3S,4R)-2-(4-Propyl-1H-1,2,3-triazol-1-yl)-1,3,4-octadecanetriol

  • Molecular FormulaC23H45N3O3
  • Average mass411.622 Da
  • Monoisotopic mass411.346100 Da
  • ChemSpider ID23306463

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-2-(4-Propyl-1H-1,2,3-triazol-1-yl)-1,3,4-octadecanetriol [ACD/IUPAC Name]
(2S,3S,4R)-2-(4-Propyl-1H-1,2,3-triazol-1-yl)-1,3,4-octadécanetriol [French] [ACD/IUPAC Name]
(2S,3S,4R)-2-(4-Propyl-1H-1,2,3-triazol-1-yl)-1,3,4-octadecantriol [German] [ACD/IUPAC Name]
1,3,4-Octadecanetriol, 2-(4-propyl-1H-1,2,3-triazol-1-yl)-, (2S,3S,4R)- [ACD/Index Name]
(2S,3S,4R)-2-(4-propyl-1H-1,2,3-triazol-1-yl)octadecane-1,3,4-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.7±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 32004.45
ACD/KOC (pH 5.5): 58397.80
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 32008.81
ACD/KOC (pH 7.4): 58405.76
Polar Surface Area: 91 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 384.5±7.0 cm3

Click to predict properties on the Chemicalize site


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