ChemSpider 2D Image | (2R,3R,4S)-4-Acetamido-4-(acetoxymethyl)-5-oxo-2-(10-oxohexadecyl)tetrahydro-3-furanyl acetate | C27H45NO8

(2R,3R,4S)-4-Acetamido-4-(acetoxymethyl)-5-oxo-2-(10-oxohexadecyl)tetrahydro-3-furanyl acetate

  • Molecular FormulaC27H45NO8
  • Average mass511.648 Da
  • Monoisotopic mass511.314514 Da
  • ChemSpider ID8567097

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-4-Acetamido-4-(acetoxymethyl)-5-oxo-2-(10-oxohexadecyl)tetrahydro-3-furanyl acetate [ACD/IUPAC Name]
(2R,3R,4S)-4-Acetamido-4-(acetoxymethyl)-5-oxo-2-(10-oxohexadecyl)tetrahydro-3-furanyl-acetat [German] [ACD/IUPAC Name]
Acetamide, N-[(3S,4R,5R)-4-(acetyloxy)-3-[(acetyloxy)methyl]tetrahydro-2-oxo-5-(10-oxohexadecyl)-3-furanyl]- [ACD/Index Name]
Acétate de (2R,3R,4S)-4-acétamido-4-(acétoxyméthyl)-5-oxo-2-(10-oxohexadécyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.492
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2761.65
ACD/KOC (pH 5.5): 10110.75
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2761.63
ACD/KOC (pH 7.4): 10110.68
Polar Surface Area: 125 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 463.4±5.0 cm3

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