Found 23 results

Search term: MF = 'C_{30}H_{40}O_{5}Si'
ChemSpider 2D Image | (1R,2R)-1-[(1S,2R,3R,4R,7S)-7-{(E)-2-[Dimethyl(phenyl)silyl]vinyl}-7-hydroxy-3-{[(4-methoxybenzyl)oxy]methyl}bicyclo[2.2.2]oct-5-en-2-yl]-1,2-propanediol | C30H40O5Si

(1R,2R)-1-[(1S,2R,3R,4R,7S)-7-{(E)-2-[Dimethyl(phenyl)silyl]vinyl}-7-hydroxy-3-{[(4-methoxybenzyl)oxy]methyl}bicyclo[2.2.2]oct-5-en-2-yl]-1,2-propanediol

  • Molecular FormulaC30H40O5Si
  • Average mass508.721 Da
  • Monoisotopic mass508.264496 Da
  • ChemSpider ID9607060

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R)-1-[(1S,2R,3R,4R,7S)-7-{(E)-2-[Dimethyl(phenyl)silyl]vinyl}-7-hydroxy-3-{[(4-methoxybenzyl)oxy]methyl}bicyclo[2.2.2]oct-5-en-2-yl]-1,2-propandiol [German] [ACD/IUPAC Name]
(1R,2R)-1-[(1S,2R,3R,4R,7S)-7-{(E)-2-[Dimethyl(phenyl)silyl]vinyl}-7-hydroxy-3-{[(4-methoxybenzyl)oxy]methyl}bicyclo[2.2.2]oct-5-en-2-yl]-1,2-propanediol [ACD/IUPAC Name]
(1R,2R)-1-[(1S,2R,3R,4R,7S)-7-{(E)-2-[Diméthyl(phényl)silyl]vinyl}-7-hydroxy-3-{[(4-méthoxybenzyl)oxy]méthyl}bicyclo[2.2.2]oct-5-én-2-yl]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 1-[(1S,2R,3R,4R,7S)-7-[(E)-2-(dimethylphenylsilyl)ethenyl]-7-hydroxy-3-[[(4-methoxyphenyl)methoxy]methyl]bicyclo[2.2.2]oct-5-en-2-yl]-, (1R,2R)- [ACD/Index 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: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1129.52
ACD/KOC (pH 5.5): 5331.65
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1129.52
ACD/KOC (pH 7.4): 5331.65
Polar Surface Area: 79 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 434.8±5.0 cm3

Click to predict properties on the Chemicalize site


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