Basic information
- CAS
135086-55-4- Standard SMILES
COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
MLQPGPZCOQDBBV-KYJUOOMLSA-N- Molecular formula
- C21H31NO13
- Average molar mass
- 505.5 g/mol
- Monoisotopic mass
- 505.17954004
Names & identifiers
- Preferred name
- D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetate
- IUPAC
- methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]acetate
Names & synonyms
135086-55-4D-glycero-alpha-D-talo-Heptopyranuronic acid, 6-deoxy-6-(((1,1-dimethylethoxy)carbonyl)amino)-, methyl ester, 1,2,3,4-tetraacetateDTXSID20159246Methyl 1,2,3,4-tetra-O-acetyl-6-[(tert-butoxycarbonyl)amino]-6-deoxy-D-glycero-alpha-D-talo-heptopyranuronate
Database identifiers
- CAS
135086-55-4- PubChem CID
- 178238
- DTXSID
DTXSID20159246
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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