3-deoxy-d-mannoic acid

3-deoxy-d-mannoic acid
Compound Structure:
Synonyms: 3-DEOXY-D-LYXO-HEXONIC ACIDD-2-KETO-3-DEOXYGALACTONATE;SCHEMBL3776280;DB02807;PD059975;Q27465120
Compound ID: NMPC-345
PubChem ID:

5289313
Molecular Formula: C6H12O6
Canonical SMILES: C(C(C(CO)O)O)C(C(=O)O)O
InChIKey: YGMNHEPVTNXLLS-MROZADKFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

180.16 g/mol

XLogP3-AA

-2.4

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

5

Exact Mass

180.06338810 g/mol

Monoisotopic Mass

180.06338810 g/mol

Topological Polar Surface Area

118Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

147

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Strychnos innocua
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