ELOCALCITOL
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ELOCALCITOL
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CAS No:
199798-84-0
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Formula:
C29H43FO2
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Chemical Name:
ELOCALCITOL
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Synonyms:
ELOCALCITOL;BXL 628;(1R,3E,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
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CAS No:
Computed Properties
Molecular Weight:442.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:442.32470877
Monoisotopic Mass:442.32470877
Topological Polar Surface Area:40.5
Heavy Atom Count:32
Complexity:813
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes