3-Deoxy-D-mannoic lactone

3-Deoxy-D-mannoic lactone
Compound Structure:
Synonyms: 3-Deoxy-d-mannoic lactone;3,5-dihydroxy-6-(hydroxymethyl)oxan-2-one;SCHEMBL22065207;SCHEMBL23135178
Compound ID: NMPC-346
PubChem ID:

541561
Molecular Formula: C6H10O5
Canonical SMILES: C1C(C(OC(=O)C1O)CO)O
InChIKey: GTGDSXQRKKKXQC-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

162.14 g/mol

XLogP3-AA

-1.1

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

1

Exact Mass

162.05282342 g/mol

Monoisotopic Mass

162.05282342 g/mol

Topological Polar Surface Area

87Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

157

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: Terminalia superba
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