ChemSpider 2D Image | (2S,9R)-10-(Allyloxy)-9-{[(allyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-10-oxodecanoic acid | C32H38N2O8

(2S,9R)-10-(Allyloxy)-9-{[(allyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-10-oxodecanoic acid

  • Molecular FormulaC32H38N2O8
  • Average mass578.653 Da
  • Monoisotopic mass578.262817 Da
  • ChemSpider ID9402037

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,9R)-10-(Allyloxy)-9-{[(allyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-10-oxodecanoic acid [ACD/IUPAC Name]
(2S,9R)-10-(Allyloxy)-9-{[(allyloxy)carbonyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-10-oxodecansäure [German] [ACD/IUPAC Name]
Acide (2S,9R)-10-(allyloxy)-9-{[(allyloxy)carbonyl]amino}-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-10-oxodécanoïque [French] [ACD/IUPAC Name]
Decanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-9-[[(2-propen-1-yloxy)carbonyl]amino]-, 10-(2-propen-1-yl) ester, (2S,9R)- [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: 771.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 155.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 255.03
ACD/KOC (pH 5.5): 502.52
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 7.53
ACD/KOC (pH 7.4): 14.84
Polar Surface Area: 140 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 480.2±3.0 cm3

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