ChemSpider 2D Image | (2S,3R,5S,6S)-3-[(1E,3E)-1,3-Heptadien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexanone | C14H22O4

(2S,3R,5S,6S)-3-[(1E,3E)-1,3-Heptadien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexanone

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID34995600

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,5S,6S)-3-[(1E,3E)-1,3-Heptadien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexanon [German] [ACD/IUPAC Name]
(2S,3R,5S,6S)-3-[(1E,3E)-1,3-Heptadien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)cyclohexanone [ACD/IUPAC Name]
(2S,3R,5S,6S)-3-[(1E,3E)-1,3-Heptadién-1-yl]-5,6-dihydroxy-2-(hydroxyméthyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 3-[(1E,3E)-1,3-heptadien-1-yl]-5,6-dihydroxy-2-(hydroxymethyl)-, (2S,3R,5S,6S)- [ACD/Index Name]
(2R,3R,5S,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)-1-cyclohexanone
(2R,3R,5S,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
(2R,3R,5S,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-methylol-cyclohexan-1-one
15265-28-8 [RN]
Cyclohexanone, 3-(1,3-heptadienyl)-5,6-dihydroxy-2-(hydroxymethyl)-, (2α,3β(1E,3E),5α,6α)-
palitantin
More...

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

NSC 246119 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 227.4±25.2 °C
Index of Refraction: 1.593
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 47.18
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 47.17
Polar Surface Area: 78 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 211.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement