ChemSpider 2D Image | 1,2-Dideoxy-1-(3,5-difluorophenyl)-2-{[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino}-5-O-(3-methyl-3-buten-1-yl)-D-xylitol | C31H42F2N2O5

1,2-Dideoxy-1-(3,5-difluorophenyl)-2-{[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino}-5-O-(3-methyl-3-buten-1-yl)-D-xylitol

  • Molecular FormulaC31H42F2N2O5
  • Average mass560.672 Da
  • Monoisotopic mass560.306152 Da
  • ChemSpider ID8406811

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2-Dideoxy-1-(3,5-difluorophenyl)-2-{[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino}-5-O-(3-methyl-3-buten-1-yl)-D-xylitol [ACD/IUPAC Name]
1,2-Didésoxy-1-(3,5-difluorophényl)-2-{[3-(dipropylcarbamoyl)-5-méthylbenzoyl]amino}-5-O-(3-méthyl-3-butén-1-yl)-D-xylitol [French] [ACD/IUPAC Name]
1,2-Didesoxy-1-(3,5-difluorphenyl)-2-{[3-(dipropylcarbamoyl)-5-methylbenzoyl]amino}-5-O-(3-methyl-3-buten-1-yl)-D-xylitol [German] [ACD/IUPAC Name]
D-Xylitol, 1,2-dideoxy-1-(3,5-difluorophenyl)-2-[[3-[(dipropylamino)carbonyl]-5-methylbenzoyl]amino]-5-O-(3-methyl-3-buten-1-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 747.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.6±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1844.06
ACD/KOC (pH 5.5): 7572.50
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1844.06
ACD/KOC (pH 7.4): 7572.48
Polar Surface Area: 99 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 482.5±3.0 cm3

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