ChemSpider 2D Image | 2-[(4aS,4bS,5S,6aR,6bR,9aR,10aS,10bR,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-ox oethyl propionate | C27H34F2O7

2-[(4aS,4bS,5S,6aR,6bR,9aR,10aS,10bR,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-ox oethyl propionate

  • Molecular FormulaC27H34F2O7
  • Average mass508.552 Da
  • Monoisotopic mass508.227264 Da
  • ChemSpider ID62571390

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-[(4aS,4bS,5S,6aR,6bR,9aR,10aS,10bR,12S)-4b,12-Difluor-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxo ethylpropionat [German] [ACD/IUPAC Name]
2-[(4aS,4bS,5S,6aR,6bR,9aR,10aS,10bR,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-ox oethyl propionate [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4b,12-difluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-6b-[2-(1-oxopropoxy)acetyl]-, (4aS,4bS,5S,6aR,6bR,9aR ,10aS,10bR,12S)- [ACD/Index Name]
Propionate de 2-[(4aS,4bS,5S,6aR,6bR,9aR,10aS,10bR,12S)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxo l-6b-yl]-2-oxoéthyle [French] [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: 600.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 209.26
ACD/KOC (pH 5.5): 1594.99
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.26
ACD/KOC (pH 7.4): 1594.98
Polar Surface Area: 99 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

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