Found 3 results

Search term: MF = 'C_{39}H_{62}O_{7}Si_{2}'
ChemSpider 2D Image | (2R,6R,7R,10R,12R,13R,14S,15S,17S)-15-Hydroxy-4,4,7,18,19,19-hexamethyl-17-[(triethylsilyl)oxy]-12-[(trimethylsilyl)oxy]-3,5-dioxapentacyclo[13.3.1.0~2,6~.0~7,13~.0~10,12~]nonadec-1(18)-en-14-yl benzo ate | C39H62O7Si2

(2R,6R,7R,10R,12R,13R,14S,15S,17S)-15-Hydroxy-4,4,7,18,19,19-hexamethyl-17-[(triethylsilyl)oxy]-12-[(trimethylsilyl)oxy]-3,5-dioxapentacyclo[13.3.1.02,6.07,13.010,12]nonadec-1(18)-en-14-yl benzo ate

  • Molecular FormulaC39H62O7Si2
  • Average mass699.076 Da
  • Monoisotopic mass698.403381 Da
  • ChemSpider ID9909841

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,6R,7R,10R,12R,13R,14S,15S,17S)-15-Hydroxy-4,4,7,18,19,19-hexamethyl-17-[(triethylsilyl)oxy]-12-[(trimethylsilyl)oxy]-3,5-dioxapentacyclo[13.3.1.02,6.07,13.010,12]nonadec-1(18)-en-14-yl benzo ;ate [ACD/IUPAC Name]
(2R,6R,7R,10R,12R,13R,14S,15S,17S)-15-Hydroxy-4,4,7,18,19,19-hexamethyl-17-[(triethylsilyl)oxy]-12-[(trimethylsilyl)oxy]-3,5-dioxapentacyclo[13.3.1.02,6.07,13.010,12]nonadec-1(18)-en-14-yl-benzo ;at [German] [ACD/IUPAC Name]
3,7-Methano-3H-cyclopropa[3',4']benzo[1',2':3,4]cyclodeca[1,2-d][1,3]dioxole-2,3-diol, 1,1a,1b,2,4,5,7a,10a,10b,11,12,12a-dodecahydro-6,9,9,10b,13,13-hexamethyl-5-[(triethylsilyl)oxy]-1a-[(trimethylsi lyl)oxy]-, 2-benzoate, (1aR,1bR,2S,3S,5S,7aR,10aR,10bR,12aR)- [ACD/Index Name]
Benzoate de (2R,6R,7R,10R,12R,13R,14S,15S,17S)-15-hydroxy-4,4,7,18,19,19-hexaméthyl-17-[(triéthylsilyl)oxy]-12-[(triméthylsilyl)oxy]-3,5-dioxapentacyclo[13.3.1.02,6.07,13.010,12]nonadéc-1(18)-én -14-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 196.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 10.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7936484.50
ACD/LogD (pH 7.4): 10.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7936475.50
Polar Surface Area: 83 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 624.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement