ChemSpider 2D Image | 6-Deoxy-6-[(2,6-dichloroisonicotinoyl)amino]-1-O-dodecyl-2,3-O-isopropylidene-alpha-L-sorbofuranose | C27H42Cl2N2O6

6-Deoxy-6-[(2,6-dichloroisonicotinoyl)amino]-1-O-dodecyl-2,3-O-isopropylidene-α-L-sorbofuranose

  • Molecular FormulaC27H42Cl2N2O6
  • Average mass561.538 Da
  • Monoisotopic mass560.242004 Da
  • ChemSpider ID17590891

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-Deoxy-6-[(2,6-dichloroisonicotinoyl)amino]-1-O-dodecyl-2,3-O-isopropylidene-α-L-sorbofuranose [ACD/IUPAC Name]
6-Desoxy-6-[(2,6-dichlorisonicotinoyl)amino]-1-O-dodecyl-2,3-O-isopropyliden-α-L-sorbofuranose [German] [ACD/IUPAC Name]
6-Désoxy-6-[(2,6-dichloroisonicotinoyl)amino]-1-O-dodécyl-2,3-O-isopropylidène-α-L-sorbofuranose [French] [ACD/IUPAC Name]
α-L-Sorbofuranose, 6-deoxy-6-[[(2,6-dichloro-4-pyridinyl)carbonyl]amino]-1-O-dodecyl-2,3-O-(1-methylethylidene)- [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: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.6±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 372326.78
ACD/KOC (pH 5.5): 338252.19
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 372314.13
ACD/KOC (pH 7.4): 338240.66
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 474.7±3.0 cm3

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