Found 3 results

Search term: MF = 'C_{39}H_{62}O_{7}Si_{2}'
ChemSpider 2D Image | (3aR,4R,4aS,5S,8S,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-6-((tert-butyldimethylsilyl)oxy)-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4-vinyl-3a,4,5,8,9,9a,10,10a-octahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-5-ol | C39H62O7Si2

(3aR,4R,4aS,5S,8S,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-6-((tert-butyldimethylsilyl)oxy)-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4-vinyl-3a,4,5,8,9,9a,10,10a-octahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-5-ol

  • Molecular FormulaC39H62O7Si2
  • Average mass699.076 Da
  • Monoisotopic mass698.403381 Da
  • ChemSpider ID26050815

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,3R,7R,8R,9S,11S,14S)-14-Allyl-8-(benzyloxy)-13-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-11-({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-5,5-dimethyl-2-vinyl-4,6,15-trioxatetracyclo[9.3.1. ;01,9.03,7]pentadec-12-en-14-ol [ACD/IUPAC Name]
(1S,2R,3R,7R,8R,9S,11S,14S)-14-Allyl-8-(benzyloxy)-13-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-11-({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-5,5-dimethyl-2-vinyl-4,6,15-trioxatetracyclo[9.3.1. ;01,9.03,7]pentadec-12-en-14-ol [German] [ACD/IUPAC Name]
(1S,2R,3R,7R,8R,9S,11S,14S)-14-Allyl-8-(benzyloxy)-13-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-11-({[diméthyl(2-méthyl-2-propanyl)silyl]oxy}méthyl)-5,5-diméthyl-2-vinyl-4,6,15-trioxatétracyclo[9.3.1. ;01,9.03,7]pentadéc-12-én-14-ol [French] [ACD/IUPAC Name]
(3aR,4R,4aS,5S,8S,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-6-((tert-butyldimethylsilyl)oxy)-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4-vinyl-3a,4,5,8,9,9a,10,10a-octahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-5-ol
4a,8-Epoxy-4aH-cyclohepta[4,5]benzo[1,2-d]-1,3-dioxol-5-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-8-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-ethenyl-3a,4,5,8,9,9a,10,10a-octahydro-2,2-dim ethyl-10-(phenylmethoxy)-5-(2-propen-1-yl)-, (3aR,4R,4aS,5S,8S,9aS,10R,10aR)- [ACD/Index 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: 668.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 200.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 11.60
ACD/LogD (pH 5.5): 10.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7208245.50
ACD/LogD (pH 7.4): 10.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7208229.50
Polar Surface Area: 76 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 37.9±5.0 dyne/cm
Molar Volume: 643.4±5.0 cm3

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