isopropyl 6-O-octanoyl-alpha-D-glucopyranoside

HCID 54267673
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Basic information

Standard SMILES
CCCCCCCC(=O)OC[C@H]1O[C@H](OC(C)C)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
RHWYOSMTSGHHON-CMZRPVNOSA-N
Molecular formula
C17H32O7
Average molar mass
348.4 g/mol
Monoisotopic mass
348.21480336

Names & identifiers

Preferred name
isopropyl 6-O-octanoyl-alpha-D-glucopyranoside
IUPAC
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl]methyl octanoate

Names & synonyms

SCHEMBL9224596RHWYOSMTSGHHON-CMZRPVNOSA-Nisopropyl 6-O-octanoyl-alpha-D-glucopyranoside

Database identifiers

PubChem CID
54267673

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
24

Related reactions

1 records
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Compound notes

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