Methyl-2-O-benzyl-D-arabinofuranoside

Methyl-2-O-benzyl-D-arabinofuranoside
Compound Structure:
Synonyms: (2R,3R,4S)-2-(hydroxymethyl)-5-methoxy-4-phenylmethoxyoxolan-3-ol; Methyl 2-O-benzylpentofuranoside; Methyl 2-O-benzyl-d-arabinofuranoside.
Compound ID: NMPC-1262
PubChem ID:

22215008
Molecular Formula: C13H18O5
Canonical SMILES: COC1C(C(C(O1)CO)O)OCC2=CC=CC=C2
InChIKey: DIVJNPXQAUMKNS-FKJOKYEKSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

254.28 g/mol

XLogP3

0.5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

5

Exact Mass

254.11542367 g/mol

Monoisotopic Mass

254.11542367 g/mol

Topological Polar Surface Area

68.2Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

242

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                       

                                                                                             
Source Species: Vernonia amygdalina
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