Basic information
- CAS
290815-75-7- Standard SMILES
Cl.OCC1OC(NCCNCCNC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
HHKRMEOZZYIERG-UHFFFAOYSA-N- Molecular formula
- C16H34ClN3O10
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 463.193272
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-6-[2-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]ethylamino]oxane-3,4,5-triol;hydrochloride
- IUPAC
- 2-(hydroxymethyl)-6-[2-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]ethylamino]oxane-3,4,5-triol;hydrochloride
Names & synonyms
NSC706966290815-75-7CHEMBL1975945DTXSID90327955NSC706965NSC707409NSC-706965NSC-706966NSC-707409.beta.-D-Glucopyranosylamine,N'-(iminodi-2,1-ethanediyl)bis-, monohydrochloride2-(Hydroxymethyl)-6-({2-[(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}ethyl)amino]ethyl}amino)oxane-3,4,5-triol--hydrogen chloride (1/1)
Database identifiers
- CAS
290815-75-7- PubChem CID
- 397918
- DTXSID
DTXSID90327955- ChEMBL
CHEMBL1975945
Properties
Computed structural properties
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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