Basic information
- CAS
135608-48-9- Standard SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc(C=O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
MWTICEOAAHFYLT-KJWHEZOQSA-N- Molecular formula
- C15H19NO7
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.11615195
Names & identifiers
- Preferred name
- 4-Formylphenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-(4-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- 4'-FORMYLPHENYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
- Molecular formula
- C15H19NO7
- Molecular weight
- 325.31
Names & synonyms
135608-48-94-Formylphenyl 2-acetamido-2-deoxy-beta-D-glucopyranosideDTXSID50415387RefChem:292971DTXCID803662374-Formylphenyl 2-acetamido-2-deoxy-b-D-glucopyranosideN-[(2S,3R,4R,5S,6R)-2-(4-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide4'-FORMYLPHENYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDEN-((2S,3R,4R,5S,6R)-2-(4-Formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamideMFCD087041134-formylphenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosideSTK771171
Show more names
4-Formylphenyl2-acetamido-2-deoxy-b-D-glucopyranoside4-Formylphenyl 2-acetamido-2-deoxy-β-D-glucopyranoside4''-FORMYLPHENYL 2-ACETAMIDO-2-DEOXY-SS-D-GLUCOPYRANOSIDEBenzaldehyde, 4-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-
AKOS002688233MF03548CS-0361975EN300-6620897Z18151490944/'-FORMYLPHENYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDEN-[(2S,3R,4R,5S,6R)-2-(4-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 673.3 · 673.3±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.70(Predicted)
- HS Code
- 29389090 · 29389090
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
- hs_code
- 29389090
Chemistry & industry
Suppliers10 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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