Basic information
- CAS
189633-66-7- Standard SMILES
CC(=O)O[C@@H]1[C@H](OC(C)=O)CO[C@](O)(C(N)=O)[C@H]1OC(C)=O- InChIKey
CTBHGAOUGPZNHT-SVDPJWKOSA-N- Molecular formula
- C12H17NO9
- Average molar mass
- 319.26 g/mol
- Monoisotopic mass
- 319.09033112
Names & identifiers
- Preferred name
- [(3R,4R,5S,6S)-4,5-diacetyloxy-6-carbamoyl-6-hydroxyoxan-3-yl] acetate
- IUPAC
- [(3R,4R,5S,6S)-4,5-diacetyloxy-6-carbamoyl-6-hydroxyoxan-3-yl] acetate
- English name
- C-(2,3,4-TRI-O-ACETYL-1-HYDROXY-BETA-D-ARABINOPYRANOSYL) FORMAMIDE
- Molecular formula
- C12H17NO9
- Molecular weight
- 319.27
Names & synonyms
189633-66-7C-(2,3,4-Tri-O-acetyl-1-hydroxy-b-D-galactopyranosyl)formamideC-(2,3,4-TRI-O-ACETYL-1-HYDROXY-SS-D-ARABINOPYRANOSYL) FORMAMIDEC-(2,3,4-TRI-O-ACETYL-1-HYDROXY-BETA-D-ARABINOPYRANOSYL) FORMAMIDE
Database identifiers
- CAS
189633-66-7- PubChem CID
- 92023743
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 481.576 · 481.576±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.423 · 1.423±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.739 · 9.739±0.70(predicted)
Chemistry & industry
Suppliers1 total
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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