3-Deoxyhexitol

3-Deoxyhexitol
Compound Structure:
Synonyms: 3-Deoxyhexitol;3-Deoxy-d-mannitol;4005-35-0;hexane-1,2,3,5,6-pentol;3-Deoxyhexitol ;SCHEMBL240241;CHEBI:177928
Compound ID: NMPC-347
PubChem ID:

560035
Molecular Formula: C6H14O5
Canonical SMILES: C(C(CO)O)C(C(CO)O)O
InChIKey: RUIACMUVCHMOMF-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

166.17 g/mol

XLogP3-AA

-2.6

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

5

Exact Mass

166.08412354 g/mol

Monoisotopic Mass

166.08412354 g/mol

Topological Polar Surface Area

101Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

97

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Tragia benthamii
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