Carbamic acid, [6-[[4-[(6-deoxy-I(2)-L-galactopyranosyl)oxy]phenyl]amino]-6-oxohexyl]-, 1,1-dimethylethyl ester
Basic information
- CAS
69936-59-0- Standard SMILES
C[C@@H]1O[C@H](Oc2ccc(NC(=O)CCCCCNC(=O)OC(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
LXLLPZWZMNBREC-GAGZULNGSA-N- Molecular formula
- C23H36N2O8
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.24716611
Names & identifiers
- Preferred name
- Carbamic acid, [6-[[4-[(6-deoxy-I(2)-L-galactopyranosyl)oxy]phenyl]amino]-6-oxohexyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[6-oxo-6-[4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanilino]hexyl]carbamate
Names & synonyms
DTXSID60110907569936-59-0Carbamic acid, [6-[[4-[(6-deoxy-I(2)-L-galactopyranosyl)oxy]phenyl]amino]-6-oxohexyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
69936-59-0- PubChem CID
- 165367474
- DTXSID
DTXSID601109075
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 618
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Compound notes
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