Heptyl glucoside
Basic information
- CAS
78617-12-6- Standard SMILES
CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
NIDYWHLDTIVRJT-UJPOAAIJSA-N- Molecular formula
- C13H26O6
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.17293854
Names & identifiers
- Preferred name
- Heptyl glucoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- HEPTYL-BETA-D-GLUCOPYRANOSIDE
- Molecular formula
- C13H26O6
- Molecular weight
- 278.34
Names & synonyms
78617-12-6Heptyl beta-D-glucopyranosideheptyl glucosiden-Heptyl beta-D-glucopyranosideBU2OC48XBRn-Heptyl beta-D-glucoside1-Heptyl beta-D-glucosidebeta-D-Glucopyranoside, heptyl(2R,3R,4S,5S,6R)-2-(heptyloxy)-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:1086455HEPTYL-BETA-D-GLUCOPYRANOSIDE(2R,3R,4S,5S,6R)-2-(Heptyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Show more names
Heptyl β-glucosideN-HEPTYL-BETA-D-GLCHeptylb-D-glucopyranosideHEPTYL-β-D-GLUCOPYRANOSIDEb-D-Glucopyranoside, heptylβ-D-Glucopyranoside, heptyln-heptyl β-d-glucopyranosideN-HEPTYL B-D-GLUCOPYRANOSIDEn-Heptyl-β-D-glucopyranoside
Heptyl-b-D-glucopyranosideMFCD00063299n-Heptyl |A-D-glucopyranoside(2R,3R,4S,5S,6R)-2-heptoxy-6-(hydroxymethyl)oxane-3,4,5-triolSCHEMBL333088Heptyl b-D-glucopyranosideE78271B7G
Database identifiers
- CAS
78617-12-6- PubChem CID
- 448173
- UNII
- BU2OC48XBR
- Nikkaji
- J278.576E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 74 · 74-75℃
- Boiling point
- 443.074 · 443.074±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.21 · 1.210±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.954 · 12.954±0.70(predicted)
- form
- Powder
- color
- White to Off-white
- optical activity
- 20 · [α]20/D 33±2°, c = 5% in H2O
- BRN
- 8806 · 8806
- CAS DataBase Reference
- 78617 · 78617-12-6
- FDA UNII
- 2 OC48XBR · BU2OC48XBR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information.beta.-D-Glucopyranoside, heptyl: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 3-9
- wgk
- 3
- hs_code
- 29400000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Heptyl Glucoside in the following categories is provided:
Applications
Usesn-Heptyl-beta-D-glucopyranoside is useful for lipid vesicle preparation and solubilization of membrane-bound proteins.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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