ChemSpider 2D Image | (5R)-5-[(11R)-11-Hydroxy-12-{2-[(2S)-2-hydroxy-3-(2-naphthyl)propoxy]phenoxy}dodecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone | C38H50O7

(5R)-5-[(11R)-11-Hydroxy-12-{2-[(2S)-2-hydroxy-3-(2-naphthyl)propoxy]phenoxy}dodecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone

  • Molecular FormulaC38H50O7
  • Average mass618.799 Da
  • Monoisotopic mass618.355652 Da
  • ChemSpider ID8253126

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5R)-5-[(11R)-11-Hydroxy-12-{2-[(2S)-2-hydroxy-3-(2-naphthyl)propoxy]phenoxy}dodecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(11R)-11-Hydroxy-12-{2-[(2S)-2-hydroxy-3-(2-naphthyl)propoxy]phenoxy}dodecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5R)-5-[(11R)-11-Hydroxy-12-{2-[(2S)-2-hydroxy-3-(2-naphtyl)propoxy]phénoxy}dodécyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-5-[(11R)-11-hydroxy-12-[2-[(2S)-2-hydroxy-3-(2-naphthalenyl)propoxy]phenoxy]dodecyl]-3-(2-oxopropyl)-, (5R)- [ACD/Index 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: 799.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 244.9±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28458.51
ACD/KOC (pH 5.5): 53692.04
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28458.51
ACD/KOC (pH 7.4): 53692.04
Polar Surface Area: 102 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 546.1±3.0 cm3

Click to predict properties on the Chemicalize site


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