ChemSpider 2D Image | (3S,5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxypentadecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone | C35H64O7

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

  • Molecular FormulaC35H64O7
  • Average mass596.878 Da
  • Monoisotopic mass596.465210 Da
  • ChemSpider ID138464

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxypentadecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxypentadecyl]tetrahydro-2-furanyl}nonyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,5R)-5-[(6R,9R)-6,9-Dihydroxy-9-{(2R,5R)-5-[(1R)-1-hydroxypentadécyl]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-hydroxypentadecyl]-2-furanyl]nonyl]dihydro-3-(2-oxopropyl)-, (3S,5R)- [ACD/Index Name]
(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecy l]oxolan-2-yl]nonyl]-3-(2-oxo
(3S,5R)-5-[(6R,9R)-6,9-DIHYDROXY-9-[(2R,5R)-5-[(1R)-1-HYDROXYPENTADECYL]OXOLAN-2-YL]NONYL]-3-(2-OXOPROPYL)OXOLAN-2-ONE
170900-27-3 [RN]
2(3H)-Furanone, 5-(6,9-dihydroxy-9-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)nonyl)dihydro-3-(2-oxopropyl)-, (2R-(2α(1(3S*,5R*),6R*,9R*),5β(R*)))-
5-(6,9-Dihydroxy-9-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)nonyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2α(1(3S*,5R*),6R*,9R*),5β(R*)))-
Goniothalamicinone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 217.7±18.1 °C
Index of Refraction: 1.493
Molar Refractivity: 167.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85244.80
ACD/KOC (pH 5.5): 117747.44
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85244.80
ACD/KOC (pH 7.4): 117747.44
Polar Surface Area: 113 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 577.5±3.0 cm3

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