Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | 5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,4-dioxotetrahydro-3-furanyl (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethyl-2-heptanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl oxalate (n on-preferred name) | C39H60O9

5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,4-dioxotetrahydro-3-furanyl (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethyl-2-heptanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl oxalate (n on-preferred name)

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID8093712

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,4-dioxotetrahydro-3-furanyl (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethyl-2-heptanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl oxalate (n on-preferred name) [ACD/IUPAC Name]
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,4-dioxotetrahydro-3-furanyl-(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethyl-2-heptanyl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yloxalat (non -preferred name) [German] [ACD/IUPAC Name]
Oxalate de 5-(2,2-diméthyl-1,3-dioxolan-4-yl)-2,4-dioxotétrahydro-3-furanyle et de (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-diméthyl-2-heptanyl]-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthr én-3-yle [French] [ACD/IUPAC 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: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 289.6±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 179.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.77
ACD/LogD (pH 5.5): 9.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2519931.00
ACD/LogD (pH 7.4): 8.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1084975.50
Polar Surface Area: 114 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 576.5±5.0 cm3

Click to predict properties on the Chemicalize site


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