 Home > Encyclopedia > 4-[(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol

4-[(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol

4-[(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol structure

CAS No:
153230-80-9
Formula:
C27H26FNO6
Chemical Name:
4-[(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol

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4-[(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol Basic Attributes

Molecular Weight：

479.49700

Exact Mass：

479.17441571 g/mol

DSSTox ID：

DTXSID90165298

Characteristics

PSA：

78.41000

XLogP3：

4.91150

Density：

1.36g/cm3

Boiling Point：

629.2ºC

Flash Point：

334.3ºC

Refractive Index：

1.639

Vapor Pressure：

2E-16mmHg at 25°C

Computed Properties

Molecular Weight:479.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:479.17441571
Monoisotopic Mass:479.17441571
Topological Polar Surface Area:78.4
Heavy Atom Count:35
Complexity:708
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(5S,5aS,8aR,9R)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol

Basic Attributes
Characteristics
Computed Properties

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