Found 1 result

Search term: 78442350 (Found by CSID)
ChemSpider 2D Image | (1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.0~1,10~.0~2,7~]hexadecane-8,16-dione | C23H34O5

(1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecane-8,16-dione

  • Molecular FormulaC23H34O5
  • Average mass390.513 Da
  • Monoisotopic mass390.240631 Da
  • ChemSpider ID78442350

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecan-8,16-dion [German] [ACD/IUPAC Name]
(1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecane-8,16-dione [ACD/IUPAC Name]
(1R,2R,5R,7R,10S,11S)-5-[(4R)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2,5,11-triméthyl-15-oxatétracyclo[9.3.2.01,10.02,7]hexadécane-8,16-dione [French] [ACD/IUPAC Name]
9H-4a,1-(Epoxymethano)phenanthrene-9,12-dione, 7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]dodecahydro-1,4b,7-trimethyl-, (1S,4aR,4bR,7R,8aR,10aS)- [ACD/Index Name]
Rosenonolactone 15,16-acetonide E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 261.7±18.1 °C
Index of Refraction: 1.545
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.75
ACD/KOC (pH 5.5): 883.95
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.75
ACD/KOC (pH 7.4): 883.95
Polar Surface Area: 62 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 328.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement