Phenyl alpha-D-glucopyranoside
Basic information
- CAS
4630-62-0- Standard SMILES
OC[C@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
NEZJDVYDSZTRFS-ZIQFBCGOSA-N- Molecular formula
- C12H16O6
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.09468823
Names & identifiers
- Preferred name
- Phenyl alpha-D-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
- English name
- Phenyl alpha-D-glucopyranoside
- Molecular formula
- C12H16O6
- Molecular weight
- 256.25
Names & synonyms
Phenyl alpha-D-glucopyranoside4630-62-0alpha-D-Glucopyranoside, phenyl-DTXSID401311850RefChem:1095006DTXCID001741669phenyl |A-d-glucopyranosidePhenyl a-D-glucopyranosidePHENYLALPHA-D-GLUCOPYRANOSIDEMFCD00006594(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triola-D-Glucopyranoside, phenyl
Show more names
Phenyl αPH-ALPHA-D-GLCPHENYL-A-D-GLUCOSIDE-D-ThiomannopyranosidePHENYL ALPHA-D-GLUCOSIDEPhenyl α-D-Glucopyranosideα-D-Glucopyranoside, phenyl
Phenyl ?-D-Glucoside;phenyl-alpha-D-glucoside(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triolGlucopyranoside, phenyl, alpha-D-alpha-D-Glucopyranose phenyl glycosideNSC 226967BRN 0087520PHENYL-alpha-D-GLUCOPYRANOSIDE
Database identifiers
- CAS
4630-62-0- PubChem CID
- 99489
- DTXSID
DTXSID401311850- ChEMBL
CHEMBL4104653- EC Number
- 113-782-4
- Nikkaji
- J304.571D
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 482.1 · 482.1±45.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- refractive index
- 180 ° · 180 ° (C=1, H2O)
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 12.7 · 12.70±0.70(Predicted)
- color
- Off-White to Pale Beige
- CAS DataBase Reference
- 4630 · 4630-62-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- LZ5985500
- hs_code
- 29389090
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesInhibits sucrose transport into plant cells
Suppliers
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Related reactions
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Compound notes
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