Methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid
Basic information
- CAS
68996-09-8- Standard SMILES
COC(=O)C1OC(SCCN)C(O)C(O)C1O.O=S(=O)(O)O- InChIKey
BCTFETWFPYZBBZ-UHFFFAOYSA-N- Molecular formula
- C9H19NO10S2
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.04503815
Names & identifiers
- Preferred name
- Methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid
- IUPAC
- methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid
- English name
- methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxy-oxane-2-carboxylate, sulfuric acid
- Molecular formula
- C9H19NO10S2
- Molecular weight
- 0
Names & synonyms
NSC31975868996-09-8NSC-319758sulfuric acid compound with 2-aminoethyl methyl 1-thiohexopyranosiduronate (1:1)CHEMBL1999702DTXSID20317682Sulfuric acid--2-aminoethyl methyl 1-thiohexopyranosiduronate (1/1)methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxy-oxane-2-carboxylate, sulfuric acid
Database identifiers
- CAS
68996-09-8- PubChem CID
- 330639
- DTXSID
DTXSID20317682- ChEMBL
CHEMBL1999702
Properties
Computed structural properties
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…