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Falecalcitriol

Falecalcitriol structure

CAS No:
83805-11-2
Formula:
C27H38F6O3
Chemical Name:
Falecalcitriol
Synonyms:
1,3-Cyclohexanediol,4-methylene-5-[(2E)-2-[1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,4S,5Z)-;9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol,26,26,26,27,27,27-hexafluoro-,(1α,3β,5Z,7E)-;(1R,4S,5Z)-4-Methylene-5-[(2E)-2-[1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol;26,26,26,27,27,27-Hexafluoro-1,25-dihydroxyvitamin D3;Ro 23-4194;(+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1α,3β,25-triol;ST 630;Falecalcitriol;Flocalcitriol;Fulstan;Hornel;Flocalcitrol;Flocacitriol;F6-1α,25-Dihydroxyvitamin D3;124817-41-0;131836-68-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Falecalcitriol is an organic molecular entity.

Falecalcitriol Basic Attributes

Molecular Weight：

524.57900

Exact Mass：

524.58

Characteristics

PSA：

60.69000

XLogP3：

6.78950

Density：

1.24g/cm3

Boiling Point：

576.9ºC

Flash Point：

302.7ºC

Refractive Index：

1.504

Computed Properties

Molecular Weight:524.6
XLogP3:6.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:524.27251404
Monoisotopic Mass:524.27251404
Topological Polar Surface Area:60.7
Heavy Atom Count:36
Complexity:860
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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