ChemSpider 2D Image | Falecalcitriol | C27H38F6O3

Falecalcitriol

  • Molecular FormulaC27H38F6O3
  • Average mass524.579 Da
  • Monoisotopic mass524.272522 Da
  • ChemSpider ID4445383
  • 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

(+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1a,3b,25-triol
(1S,3R,5Z,7E)-26,26,26,27,27,27-Hexafluor-9,10-secocholesta-5,7,10-trien-1,3,25-triol [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol [ACD/IUPAC Name]
(1S,3R,5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-sécocholesta-5,7,10-triène-1,3,25-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)- [ACD/Index Name]
7103
83805-11-2 [RN]
calcitriol hexafluoride
Falecalcitriol [INN] [Wiki]
G70A8514T8
More...

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

D01662 [DBID]
DSC-103 [DBID]
LMST03020089 [DBID]
ST 630 [DBID]
ST-630 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Falecalcitriol(Fulstan; Hornel) is an analog of calcitriol; has a higher potency both in vivo and in vitro systems, and longer duration of action in vivo. MedChem Express HY-32342
      Falecalcitriol(Fulstan; Hornel) is an analog of calcitriol; has a higher potency both in vivo and in vitro systems, and longer duration of action in vivo.; MedChem Express HY-32342
      VD/VDR MedChem Express HY-32342
      Vitamin D Related MedChem Express HY-32342
      Vitamin D Related; MedChem Express HY-32342

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 84122.55
ACD/KOC (pH 5.5): 116634.06
ACD/LogD (pH 7.4): 6.78
ACD/BCF (pH 7.4): 83765.77
ACD/KOC (pH 7.4): 116139.39
Polar Surface Area: 61 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 422.0±5.0 cm3

Click to predict properties on the Chemicalize site





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