Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | (1R,2Z,3R,5E,7E,14xi)-17-[(2R)-6-Hydroxy-6-methyl-2-heptanyl]-2-[3-(methoxymethoxy)propylidene]-9,10-secoestra-5,7-diene-1,3-diol | C31H52O5

(1R,2Z,3R,5E,7E,14ξ)-17-[(2R)-6-Hydroxy-6-methyl-2-heptanyl]-2-[3-(methoxymethoxy)propylidene]-9,10-secoestra-5,7-diene-1,3-diol

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID23269767

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1R,2Z,3R,5E,7E,14ξ)-17-[(2R)-6-Hydroxy-6-methyl-2-heptanyl]-2-[3-(methoxymethoxy)propyliden]-9,10-secoestra-5,7-dien-1,3-diol [German] [ACD/IUPAC Name]
(1R,2Z,3R,5E,7E,14ξ)-17-[(2R)-6-Hydroxy-6-methyl-2-heptanyl]-2-[3-(methoxymethoxy)propylidene]-9,10-secoestra-5,7-diene-1,3-diol [ACD/IUPAC Name]
(1R,2Z,3R,5E,7E,14ξ)-17-[(2R)-6-Hydroxy-6-méthyl-2-heptanyl]-2-[3-(méthoxyméthoxy)propylidène]-9,10-sécoestra-5,7-diène-1,3-diol [French] [ACD/IUPAC Name]
(1R,2Z,3R,5E,7E,14ξ)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-[3-(methoxymethoxy)propylidene]-9,10-secoestra-5,7-diene-1,3-diol
1,3-Cyclohexanediol, 2-[3-(methoxymethoxy)propylidene]-5-[(2E)-2-[(7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,2Z,3R,5E)- [ACD/Index Name]
CHEMBL207889
E-1α

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 336.9±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17641.26
ACD/KOC (pH 5.5): 38128.75
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17641.26
ACD/KOC (pH 7.4): 38128.75
Polar Surface Area: 79 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 440.4±3.0 cm3

Click to predict properties on the Chemicalize site


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