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D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)

D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) structure

CAS No:
144371-38-0
Formula:
C6H14FO14P3
Chemical Name:
D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)
Synonyms:
D-myo-Inositol,3-deoxy-3-fluoro-,1,4,5-tris(dihydrogen phosphate);346624-20-2

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D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate) Basic Attributes

Molecular Weight：

422.0866462

Exact Mass：

422.09

DSSTox ID：

DTXSID70162689

Characteristics

PSA：

241

XLogP3：

-6

Density：

2.17±0.1 g/cm3(Predicted)

Boiling Point：

862.0±75.0 °C(Predicted)

Drug Information

MeSH Entry Terms：

3-deoxy-3-fluoro-D-myo-inositol 1,4,5-trisphosphate

Computed Properties

Molecular Weight:422.09
XLogP3:-6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:421.95804427
Monoisotopic Mass:421.95804427
Topological Polar Surface Area:241
Heavy Atom Count:24
Complexity:579
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)

Basic Attributes
Characteristics
Drug Information
Computed Properties
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D-myo-Inositol, 3-deoxy-3-fluoro-, 1,4,5-tris(dihydrogen phosphate)

SDS

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