Basic information
- CAS
107910-44-1- Standard SMILES
COC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)CNC(C(C=O)NC(C)=O)C(O)C(O)CO- InChIKey
XHVUPHDJHYAXBN-UHFFFAOYSA-N- Molecular formula
- C19H33N5O10
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.22274227
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(2-acetamido-2,3-dideoxyglucos-3-yl)glycyl-alanyl-glutamine methyl ester
- IUPAC
- methyl 2-[2-[[2-[(2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl)amino]acetyl]amino]propanoylamino]-5-amino-5-oxopentanoate
- English name
- N-(2-acetamido-2,3-dideoxyglucos-3-yl)glycyl-alanyl-glutamine methyl ester
- Molecular formula
- C19H33N5O10
- Molecular weight
- 491.49
Names & synonyms
107910-44-1N-(2-Acetamido-2,3-dideoxyglucos-3-yl)glycyl-alanyl-glutamine methyl esterRefChem:161629Adggagm
Database identifiers
- CAS
107910-44-1- PubChem CID
- 194751
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 734
Physicochemical properties
- Boiling point
- 994.017 · 994.017±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.428 · 13.428±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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