Found 1 result

Search term: 112849-27-1 (Found by approved synonym)
ChemSpider 2D Image | (1S,3R,5E,7E,22E,24S)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-ol | C39H68O3Si2

(1S,3R,5E,7E,22E,24S)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-ol

  • Molecular FormulaC39H68O3Si2
  • Average mass641.126 Da
  • Monoisotopic mass640.470703 Da
  • ChemSpider ID28428647

  • 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

(1S,3R,5E,7E,22E,24S)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-ol [German] [ACD/IUPAC Name]
(1S,3R,5E,7E,22E,24S)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-ol [ACD/IUPAC Name]
(1S,3R,5E,7E,22E,24S)-1,3-Bis{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-sécocholesta-5,7,10,22-tétraén-24-ol [French] [ACD/IUPAC Name]
112849-27-1 [RN]
Cyclopropanemethanol, α-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-but en-1-yl]-, (αS)- [ACD/Index Name]
(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
(1S,4R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldimethylsilyloxy)-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-ol
(a-S)-a-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-buten-1-yl]cyclopropanemethanol
(E,1S,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-ol
[112849-27-1] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 628.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 195.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 12.56
ACD/LogD (pH 5.5): 10.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 39 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 34.0±5.0 dyne/cm
Molar Volume: 649.0±5.0 cm3

Click to predict properties on the Chemicalize site


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