Basic information
- CAS
13224-94-7- Standard SMILES
CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O- InChIKey
SCBBSJMAPKXHAH-OVHBTUCOSA-N- Molecular formula
- C7H14O6
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.07903816
Names & identifiers
- Preferred name
- 3-O-Methyl-alpha-D-glucopyranose
- IUPAC
- (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
- English name
- 3-O-METHYL-ALPHA-D-GLUCOPYRANOSE
- Molecular formula
- C7H14O6
- Molecular weight
- 194.18
Names & synonyms
13224-94-73-O-Methyl-alpha-D-glucopyranosealpha-D-Glucopyranose, 3-O-methyl-PX96ZE0GYSGlyTouCan:G98301KURefChem:95157G98301KU236-197-73-O-Methyl-D-glucopyranose3-O-Methyl-a-D-glucopyranose(2S,3R,4S,5R,6R)-6-(Hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2,3,5-triol(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
Show more names
3-O-METHYL-D-GLUCOSE3-O-methyl-B13-O-METHYLGLUCOSEA-METHYL-D-GLUCOSIDE3-O-Methylglucose,99%3-O-METHYL-α-D-GLUCOPYRANOSE
MFCD000632663-O-Methoxyglucose3-o-methyl-alpha-d-glucose.alpha.-D-Glucopyranose, 3-O-methyl-Rel-(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2,3,5-triol34685-62-6EINECS 236-197-7UNII-PX96ZE0GYS
Database identifiers
- CAS
13224-94-7- PubChem CID
- 83246
- DTXSID
DTXSID701351946
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 167 · 167-169 °C(lit.)
- Boiling point
- 250.62 °C · 250.62°C (rough estimate)
- alpha
- 54 · +54~+58°(D/20℃) (c=1, dil. NH4OH)
- Density
- 1.2501 · 1.2501 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Water (Slightly)
- pka
- 12.05 · 12.05±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/s3
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA labeled derivative of D-Glucose (G595000), used in enzymic synthesis of cyclohexyl-a and b-D-glucosides.
Suppliers91 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [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]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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