Basic information
- CAS
1464-44-4- Standard SMILES
OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
NEZJDVYDSZTRFS-RMPHRYRLSA-N- Molecular formula
- C12H16O6
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.09468823
Overview
Phenyl beta-D-glucopyranoside is a glycoside.
Names & identifiers
- Preferred name
- phenyl beta-D-glucopyranoside
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
- English name
- Phenyl-beta-D-glucopyranoside
- Molecular formula
- C12H16O6
- Molecular weight
- 256.25
Names & synonyms
1464-44-4Phenyl beta-D-glucopyranosidePhenyl-beta-D-glucopyranosidePhenylglucosidePhenol glucosidePhenyl beta-D-glucosidebeta-D-Glucopyranoside, phenyl(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triolGlucopyranoside, phenyl-, beta-D-phenyl-beta-glucoside4W3PGI3766(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-3,4,5-triol
Show more names
Phenyl β-D-glucopyranosidephenyl B2PH-BETA-D-GLCphenolglucosidePHENYL-B-D-GLUCOSIDEbeta-d-glucopyranosidPhenyl β-D-GlucopyranosePHENYL-B-D-GLUCOPYRANOSIDE
DTXSID40883677RefChem:861576DTXCID601023182215-978-6Aryl beta-D-glucosidePhenyl-beta-D-glucoside.beta.-D-Glucopyranoside, phenyl(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-phenoxytetrahydro-2H-pyran-3,4,5-triol
Database identifiers
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
Experimental & physicochemical properties
LogP-0.71
Physicochemical properties
- Melting point
- 176 · 176-178 °C(lit.)
- Boiling point
- 359.49 °C · 359.49°C (rough estimate)
- Density
- 1.2993 · 1.2993 (rough estimate)
- refractive index
- -70.5 ° · -70.5 ° (C=2, H2O)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly, Sonicated)
- form
- Powder
- pka
- 12.7 · 12.70±0.70(Predicted)
- color
- White to Off-white
- optical activity
- 25 · [α]25/D 70°, c = 1 in H2O
- Water Solubility
- Soluble in water
- BRN
- 87517 · 87517
- Stability
- Stable. Incompatible with strong oxidizing agents.
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, phenyl: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LZ5985510
- hs_code
- 29400090
- Toxicity
- LD50 ipr-mus: 980 mg/kg NYKZAU49,84,53
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-D-Glucopyranoside, phenyl: INACTIVE
Applications
UsesPhenyl β-D-glucopyranoside can be used:As a starting material for the synthesis of various derivatives of β-D-glucopyranosides with potential application as anti-HIV agents.As a model for glycosides in the gas phase for their spectroscopic investigation.As an internal standard in GC and GC-MS quantitative analyses.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers90 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
2 records
Compound notes
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