ChemSpider 2D Image | (5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone | C33H60O7

(5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone

  • Molecular FormulaC33H60O7
  • Average mass568.825 Da
  • Monoisotopic mass568.433899 Da
  • ChemSpider ID9679891

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxytridécyl]tétrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]nonyl]dihydro-3-(2-oxopropyl)-, (5R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 713.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 215.9±18.1 °C
Index of Refraction: 1.495
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17079.07
ACD/KOC (pH 5.5): 37255.05
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17079.07
ACD/KOC (pH 7.4): 37255.05
Polar Surface Area: 113 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 544.5±3.0 cm3

Click to predict properties on the Chemicalize site


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