ChemSpider 2D Image | (1R,2R,3R,5Z,7E)-2-{[3-Hydroxy(3-~3~H_1_)propyl]oxy}-9,10-secocholesta-5,7,10-triene-1,3,25-triol | C30H49TO5

(1R,2R,3R,5Z,7E)-2-{[3-Hydroxy(3-3H1)propyl]oxy}-9,10-secocholesta-5,7,10-triene-1,3,25-triol

  • Molecular FormulaC30H49TO5
  • Average mass492.723 Da
  • Monoisotopic mass492.374054 Da
  • ChemSpider ID8966627

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,3R,5Z,7E)-2-{[3-Hydroxy(3-3H1)propyl]oxy}-9,10-secocholesta-5,7,10-trien-1,3,25-triol [German] [ACD/IUPAC Name]
(1R,2R,3R,5Z,7E)-2-{[3-Hydroxy(3-3H1)propyl]oxy}-9,10-secocholesta-5,7,10-triene-1,3,25-triol [ACD/IUPAC Name]
(1R,2R,3R,5Z,7E)-2-{[3-Hydroxy(3-3H1)propyl]oxy}-9,10-sécocholesta-5,7,10-triène-1,3,25-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 2-[(3-hydroxypropyl-3-t)oxy]-4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,2R,3R,5Z)- [ACD/Index Name]

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

Density:
Boiling Point: 655.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 350.3±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5696.40
ACD/KOC (pH 5.5): 16976.60
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5696.39
ACD/KOC (pH 7.4): 16976.58
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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