4-Trifluoroacetamidophenylmannopyranosyl-(1-3)-O-(mannopyranosyl-(1-6))-mannopyranoside
Basic information
- CAS
102717-28-2- Standard SMILES
O=C(Nc1ccc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)cc1)C(F)(F)F- InChIKey
RWKFWRNSLPMQPS-UHFFFAOYSA-N- Molecular formula
- C26H36F3NO17
- Average molar mass
- 691.6 g/mol
- Monoisotopic mass
- 691.19353317
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Trifluoroacetamidophenylmannopyranosyl-(1-3)-O-(mannopyranosyl-(1-6))-mannopyranoside
- IUPAC
- N-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide
- English name
- 4-trifluoroacetamidophenylmannopyranosyl-(1-3)-O-(mannopyranosyl-(1-6))-mannopyranoside
- Molecular formula
- C26H36F3NO17
- Molecular weight
- 691.5557496
Names & synonyms
102717-28-24-Tfmmm4-Trifluoroacetamidophenylmannopyranosyl-(1-3)-O-(mannopyranosyl-(1-6))-mannopyranosideRefChem:100560N-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamideDTXSID809080152,2,2-trifluoro-N-(4-{[hexopyranosyl-(1->3)-[hexopyranosyl-(1->6)]hexopyranosyl]oxy}phenyl)acetamide
Database identifiers
- CAS
102717-28-2- PubChem CID
- 128163
- DTXSID
DTXSID80908015
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 287 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,010
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Compound notes
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