ChemSpider 2D Image | 17-hydroxycyclooctatin, (rel)- | C20H34O4

17-hydroxycyclooctatin, (rel)-

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID26343769

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(Hydroxymethyl)-7-[(2S)-1-hydroxy-2-propanyl]-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-3,4-diol [German] [ACD/IUPAC Name]
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(Hydroxymethyl)-7-[(2S)-1-hydroxy-2-propanyl]-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol [ACD/IUPAC Name]
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(Hydroxyméthyl)-7-[(2S)-1-hydroxy-2-propanyl]-4,9a-diméthyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodécahydrodicyclopenta[a,d][8]annulène-3,4-diol [French] [ACD/IUPAC Name]
17-hydroxycyclooctatin, (rel)-
Dicyclopenta[a,d]cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-1-(hydroxymethyl)-7-[(1S)-2-hydroxy-1-methylethyl]-4,9a-dimethyl-, (1R,3R,3aS,4S,6Z,7R,9aR,10aR)- [ACD/Index Name]
17-hydroxycyclooctatin
rel-(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(Hydroxymethyl)-7-[(2S)-1-hydroxy-2-propanyl]-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 230.1±24.7 °C
Index of Refraction: 1.567
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.08
ACD/KOC (pH 5.5): 388.35
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.08
ACD/KOC (pH 7.4): 388.35
Polar Surface Area: 81 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 288.4±5.0 cm3

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