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6,6-difluorocholestanol

6,6-difluorocholestanol structure

CAS No:
111300-80-2
Formula:
C27H46F2O
Chemical Name:
6,6-difluorocholestanol
Synonyms:
6,6-difluorocholestanol;6,6-Difluoro-5α-cholestan-3β-ol;Cholestan-3-ol, 6,6-difluoro-, (3β,5α)- (9CI)

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6,6-difluorocholestanol Basic Attributes

Molecular Weight：

424.65

Exact Mass：

424.35167241 g/mol

Characteristics

PSA：

20.2 Å²

Density：

1.03±0.1 g/cm3

Melting Point：

122 °C

Boiling Point：

475.0±35.0 °C(Predicted)

PKA：

14.46±0.70

Drug Information

MeSH Entry Terms：

6,6-difluorocholestanol

Computed Properties

Molecular Weight:424.6
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:424.35167241
Monoisotopic Mass:424.35167241
Topological Polar Surface Area:20.2
Heavy Atom Count:30
Complexity:618
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6,6-difluorocholestanol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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