Basic information
- CAS
30688-66-5- Standard SMILES
O=C[C@H](O)[C@@H](O)[C@@H]1OC(c2ccccc2)OC[C@H]1O- InChIKey
XTVRQMKOKFFGDZ-ZLUZDFLPSA-N- Molecular formula
- C13H16O6
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.09468823
Names & identifiers
- Preferred name
- 4,6-O-Benzylidenehexose
- IUPAC
- (2R,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propanal
- English name
- 4,6-O-Benzylidene-D-glucose
- Molecular formula
- C13H16O6
- Molecular weight
- 268.26
Names & synonyms
30688-66-54,6-O-BenzylidenehexoseDTXSID80952932RefChem:1069528DTXCID3013809994,6-O-Benzylidene-D-glucoseD-Glucose, 4,6-O-(phenylmethylene)-4,6-O-(Phenylmethylene)-D-glucose(2R,3R)-2,3-dihydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propanalMFCD00167506(2R,3R)-2,3-dihydroxy-3-((4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl)propanal4,6-Benzilidine-D-Glucose
Show more names
4,6-O-Benzylidene-D-glucopyranose4,6-O-Benzylidene glucose4,6-O-benzenemethylene-D-glucose4,6-O-Benzyliden-D-glucopyranoside
SCHEMBL595834orb18189824,5-O-Benzylidene-D-glucopyranose4,6-0- Benzylidene -d- Glucose4,6-O-Benzylidene-D-glucopyranosideTN7217AKOS015919073BS-22276
Database identifiers
- CAS
30688-66-5- PubChem CID
- 147362
- DTXSID
DTXSID80952932
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 183 · 183-186 °C
- Boiling point
- 521.6 · 521.6±50.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 14 mg/ml; Ethanol: 25 mg/ml; PBS (pH 7.2): 1 mg/ml
- form
- A crystalline solid
- pka
- 12.44 · 12.44±0.20(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- WGK Germany
- 3 · 3
- HS Code
- 2940000080 · 2940000080
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2940000080
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Applications
Description4,6-O-Benzylidene-D-glucose is a useful intermediate for the synthesis of carbohydrates.
Uses4,6-O-Benzylidene-D-glucose is a benzaldehyde derivative with anticancer effects[1].
Upstream & downstream products
Upstream raw materials
Suppliers54 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海相辉医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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