ChemSpider 2D Image | (1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol | C24H36O2

(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol

  • Molecular FormulaC24H36O2
  • Average mass356.541 Da
  • Monoisotopic mass356.271515 Da
  • ChemSpider ID21865458

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol
(1S,3R,5Z,7E)-9,10-Secochola-5,7,10,23-tetraen-1,3-diol [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E)-9,10-Secochola-5,7,10,23-tetraene-1,3-diol [ACD/IUPAC Name]
(1S,3R,5Z,7E)-9,10-Sécochola-5,7,10,23-tétraène-1,3-diol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R)-1-methyl-3-buten-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)- [ACD/Index Name]
(1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcholecalciferol
10493197 [Beilstein]
25,26,27-trinor-23-ene-1α(OH)D3
25,26,27-trinor-23-ene-1α-hydroxyvitamin D3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 498.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 216.4±23.3 °C
Index of Refraction: 1.550
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10547.09
ACD/KOC (pH 5.5): 26384.42
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10547.09
ACD/KOC (pH 7.4): 26384.42
Polar Surface Area: 40 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement