Found 1 result

Search term: 78440822 (Found by CSID)
ChemSpider 2D Image | (2R,3R,5R,6R,9R,13S,15S)-6-[(2E)-4,5-Dihydroxy-2-hexen-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.0~2,10~.0~5,9~]octadeca-1(17),10-dien-12-one | C25H36O5

(2R,3R,5R,6R,9R,13S,15S)-6-[(2E)-4,5-Dihydroxy-2-hexen-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID78440822

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2R,3R,5R,6R,9R,13S,15S)-6-[(2E)-4,5-Dihydroxy-2-hexen-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-on [German] [ACD/IUPAC Name]
(2R,3R,5R,6R,9R,13S,15S)-6-[(2E)-4,5-Dihydroxy-2-hexen-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one [ACD/IUPAC Name]
(2R,3R,5R,6R,9R,13S,15S)-6-[(2E)-4,5-Dihydroxy-2-hexén-2-yl]-3,15-dihydroxy-5-méthyltétracyclo[11.4.1.02,10.05,9]octadéca-1(17),10-dién-12-one [French] [ACD/IUPAC Name]
6,11-Methano-12H-cyclodec[e]inden-12-one, 3-[(1E)-3,4-dihydroxy-1-methyl-1-penten-1-yl]-1,2,3,3a,4,5,5a,8,9,10,11,13b-dodecahydro-5,9-dihydroxy-3a-methyl-, (3R,3aR,5R,5aR,9S,11S,13bR)- [ACD/Index Name]
Erythro-11α-hydroxyneocyclocitrinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±6.0 kJ/mol
Flash Point: 362.1±28.0 °C
Index of Refraction: 1.602
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.42
ACD/KOC (pH 5.5): 186.25
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 186.25
Polar Surface Area: 98 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 334.4±5.0 cm3

Click to predict properties on the Chemicalize site


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