I+/--D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-, 6-(4-methylbenzenesulfonate)
Basic information
- CAS
41110-57-0- Standard SMILES
CO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H](O)[C@H]1NC(=O)OCc1ccccc1- InChIKey
DGNDCPAAWLOSID-ONUIULTDSA-N- Molecular formula
- C22H27NO9S
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.14065261
Names & identifiers
- Preferred name
- I+/--D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-, 6-(4-methylbenzenesulfonate)
- IUPAC
- [(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL9233614DTXSID60111330941110-57-0I+/--D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-, 6-(4-methylbenzenesulfonate)Methyl 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-6-O-(4-methylbenzene-1-sulfonyl)-alpha-D-glucopyranoside
Database identifiers
- CAS
41110-57-0- PubChem CID
- 53758985
- DTXSID
DTXSID601113309
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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