Basic information
- CAS
62158-33-2- Standard SMILES
CO[C@H]1C[C@H]2OC(=O)C[C@@H]2[C@H](CO)O1- InChIKey
CEVALZNMSHYICJ-VOQBNFLRSA-N- Molecular formula
- C9H14O5
- Average molar mass
- 202.2 g/mol
- Monoisotopic mass
- 202.08412354
Names & identifiers
- Preferred name
- (3aS,4R,6R,7aR)-4-(Hydroxymethyl)-6-methoxytetrahydro-4H-furo[3,2-c]pyran-2(3H)-one
- IUPAC
- (3aS,4R,6R,7aR)-4-(hydroxymethyl)-6-methoxy-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyran-2-one
- English name
- (3AS,4R,6R,7AS)-TETRAHYDRO-4-HYDROXYMETHYL-6-METHOXY-4H-FURO[3,2-C]PYRAN-2(3H)-ONE
- Molecular formula
- C9H14O5
- Molecular weight
- 202.2
Names & synonyms
62158-33-2(3aS,4R,6R,7aR)-4-(Hydroxymethyl)-6-methoxytetrahydro-4H-furo[3,2-c]pyran-2(3H)-one(3aS,4R,6R,7aR)-4-(hydroxymethyl)-6-methoxy-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyran-2-oneDTXSID7074545162210-98-4MFCD00792574AKOS017343607(3aS,4R,6S,7aS)-Tetrahydro-4-hydroxymethyl-6-methoxy-4H-furo[3,2-c]pyran-2(3H)-one, >=98%METHYL 2-DEOXY-BETA-D-ALLOSIDE 3,4-CARBONATEMETHYL 2-DEOXY-ALPHA-D-ALLOSIDE 3,4-CARBONATE(3as,4R,6S,7as)-tetrahydro-4-*hydroxymethyl-6-met(3AS,4R,6S,7AS)-TETRAHYDRO-4-*HYDROXYMET HYL-6-METHO
Show more names
Methyl 2-deoxy-α-D-alloside 3,4-carbonate, CAS 62158-33-2(3AS,4R,6S,7AS)-TETRAHYDRO-4-HYDROXYMETHYL-6-METHOXY-4H-FURO[3,2-C]PYRAN-2(3H)-ONE(3AS,4R,6R,7AS)-TETRAHYDRO-4-HYDROXYMETHYL-6-METHOXY-4H-FURO[3,2-C]PYRAN-2(3H)-ONE4H-Furo[3,2-c]pyran-2(3H)-one, tetrahydro-4-(hydroxymethyl)-6-methoxy-, (3aS,4S,6S,7aS)-
Database identifiers
- CAS
62158-33-2- PubChem CID
- 71308317
- DTXSID
DTXSID70745451
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 396.161 · 396.161±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.296 · 1.296±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 14.226 · 14.226±0.10(predicted)
- WGK Germany
- 3 · 3
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
Chemistry & industry
Suppliers7 total
广州伟伯科技有限公司[email protected]
Carbone Scientific CO., LTD[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SIGMA—
SIGMAALDRICH—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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