ChemSpider 2D Image | (3S,5R)-3-(2-Oxopropyl)-5-(5-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}pentyl)dihydro-2(3H)-furanone | C37H66O7

(3S,5R)-3-(2-Oxopropyl)-5-(5-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}pentyl)dihydro-2(3H)-furanone

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID4947326

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,5R)-3-(2-Oxopropyl)-5-(5-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}pentyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,5R)-3-(2-Oxopropyl)-5-(5-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}pentyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,5R)-3-(2-Oxopropyl)-5-(5-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-hénicosén-1-yl]tétrahydro-2-furanyl}pentyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3-(2-oxopropyl)-5-[5-[(2R,5S)-tetrahydro-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-heneicosen-1-yl]-2-furanyl]pentyl]-, (3S,5R)- [ACD/Index Name]
(3S,5R)-3-(2-OXOPROPYL)-5-{5-[(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-TRIHYDROXYHENICOS-8-EN-1-YL]OXOLAN-2-YL]PENTYL}OXOLAN-2-ONE
177535-01-2 [RN]
2(3H)-Furanone,dihydro-3-(2-oxopropyl)-5-[5-[(2R,5S)-tetrahydro-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxy-8-heneicosen-1-yl]-2-furanyl]pentyl]-,(3S,5R)-
2,4-cis-Gigantetroneninone
Gigantetroneninone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 768.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 227.5±26.4 °C
Index of Refraction: 1.496
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 194778.17
ACD/KOC (pH 5.5): 212730.08
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 194778.17
ACD/KOC (pH 7.4): 212730.08
Polar Surface Area: 113 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 606.4±3.0 cm3

Click to predict properties on the Chemicalize site


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