ChemSpider 2D Image | Ethyl (5R)-5,11,12a,14b-tetrahydroxy-3a,8,8-trimethylhexadecahydrocyclopenta[1,2]phenanthro[5,4b-d][1,3]dioxine-3-carboxylate | C25H40O8

Ethyl (5R)-5,11,12a,14b-tetrahydroxy-3a,8,8-trimethylhexadecahydrocyclopenta[1,2]phenanthro[5,4b-d][1,3]dioxine-3-carboxylate

  • Molecular FormulaC25H40O8
  • Average mass468.580 Da
  • Monoisotopic mass468.272308 Da
  • ChemSpider ID22890270

  • defined stereocentres - 1 of 10 defined stereocentres

More details:

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

(5R)-5,11,12a,14b-Tétrahydroxy-3a,8,8-triméthylhexadécahydrocyclopenta[1,2]phénanthro[5,4b-d][1,3]dioxine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
6H-Cyclopenta[1,2]phenanthro[5,4b-d][1,3]dioxin-3-carboxylic acid, hexadecahydro-5,11,12a,14b-tetrahydroxy-3a,8,8-trimethyl-, ethyl ester, (5R)- [ACD/Index Name]
Ethyl (5R)-5,11,12a,14b-tetrahydroxy-3a,8,8-trimethylhexadecahydrocyclopenta[1,2]phenanthro[5,4b-d][1,3]dioxine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(5R)-5,11,12a,14b-tetrahydroxy-3a,8,8-trimethylhexadecahydrocyclopenta[1,2]phenanthro[5,4b-d][1,3]dioxin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 206.8±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 135.12
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 135.12
Polar Surface Area: 126 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 354.5±5.0 cm3

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