5-[[Amino-(2,3,4,5,6-pentahydroxyhexanoylamino)methylidene]amino]-2-(2,3,4,5,6-pentahydroxyhexanoylamino)pentanoic acid
Basic information
- CAS
94071-05-3- Standard SMILES
NC(=NCCCC(NC(=O)C(O)C(O)C(O)C(O)CO)C(=O)O)NC(=O)C(O)C(O)C(O)C(O)CO- InChIKey
ZEEBVAJWBVPOCV-UHFFFAOYSA-N- Molecular formula
- C18H34N4O14
- Average molar mass
- 530.5 g/mol
- Monoisotopic mass
- 530.20715177
Names & identifiers
- Preferred name
- 5-[[Amino-(2,3,4,5,6-pentahydroxyhexanoylamino)methylidene]amino]-2-(2,3,4,5,6-pentahydroxyhexanoylamino)pentanoic acid
- IUPAC
- 5-[[amino-(2,3,4,5,6-pentahydroxyhexanoylamino)methylidene]amino]-2-(2,3,4,5,6-pentahydroxyhexanoylamino)pentanoic acid
Database identifiers
- CAS
94071-05-3- PubChem CID
- 131888024
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 336 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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