Found 1 result

Search term: RPCZXHGKTBPWFO-CSLRZQCASA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (1S,3R,5E,7Z)-25,26-Epoxy-9,10-secocholesta-5,7,10-trien-23-yne-1,3-diol | C27H38O3

(1S,3R,5E,7Z)-25,26-Epoxy-9,10-secocholesta-5,7,10-trien-23-yne-1,3-diol

  • Molecular FormulaC27H38O3
  • Average mass410.589 Da
  • Monoisotopic mass410.282104 Da
  • ChemSpider ID24683757
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(1S,3R,5E,7Z)-25,26-Epoxy-9,10-secocholesta-5,7,10-trien-23-in-1,3-diol [German] [ACD/IUPAC Name]
(1S,3R,5E,7Z)-25,26-Epoxy-9,10-secocholesta-5,7,10-trien-23-yne-1,3-diol [ACD/IUPAC Name]
(1S,3R,5E,7Z)-25,26-Époxy-9,10-sécocholesta-5,7,10-trién-23-yne-1,3-diol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-methylene-5-[(2Z)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R)-1-methyl-4-(2-methyloxiranyl)-3-butyn-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 566.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 296.3±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2533.24
ACD/KOC (pH 5.5): 9504.89
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2533.24
ACD/KOC (pH 7.4): 9504.89
Polar Surface Area: 53 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 365.1±5.0 cm3

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