ChemSpider 2D Image | Cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C21H41NO3

Cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC21H41NO3
  • Average mass355.555 Da
  • Monoisotopic mass355.308655 Da
  • ChemSpider ID25060882
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de cyclotridécyle [French] [ACD/IUPAC Name]
Cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
Cyclotridecyl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)- [ACD/Index Name]
1D4

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

Density: 1.0±0.1 g/cm3
Boiling Point: 475.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.2±6.0 kJ/mol
Flash Point: 241.6±28.7 °C
Index of Refraction: 1.497
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 18.34
ACD/KOC (pH 5.5): 55.59
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 931.45
ACD/KOC (pH 7.4): 2823.45
Polar Surface Area: 42 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 355.2±5.0 cm3

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