3-hexenyl-1-O-β-D-glucopyranoside

3-hexenyl-1-O-β-D-glucopyranoside
Compound Structure:
Synonyms: 3-Hexenyl-beta-glucopyranoside;95632-87-4;(2R,3R,4S,5S,6R)-2-[(E)-hex-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;3-Hexenyl-beta-D-glucopyranoside;CHEMBL2152486;beta-D-Glucopyranoside, 3-hexenyl, (Z)-
Compound ID: NMPC-356
PubChem ID:

5318046
Molecular Formula: C12H22O6
Canonical SMILES: CCC=CCCOC1C(C(C(C(O1)CO)O)O)O
InChIKey: OZIPFYKAIOOVEJ-WQPBHKFLSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

262.30 g/mol

XLogP3

-0.4

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

6

Exact Mass

262.14163842 g/mol

Monoisotopic Mass

262.14163842 g/mol

Topological Polar Surface Area

99.4Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

257

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Ficus thonningii
Download SDF