Basic information
- CAS
141839-02-3- Standard SMILES
Cl.Cl.OC1CN(CCCCCCN2CC(O)C(O)C2Cc2ccccc2)C(Cc2ccccc2)C1O- InChIKey
NRKAFSROTVSRAX-UHFFFAOYSA-N- Molecular formula
- C28H42Cl2N2O4
- Average molar mass
- 541.5 g/mol
- Monoisotopic mass
- 540.2521632
Names & identifiers
- Preferred name
- RS 59022-198
- IUPAC
- 2-benzyl-1-[6-(2-benzyl-3,4-dihydroxypyrrolidin-1-yl)hexyl]pyrrolidine-3,4-diol;dihydrochloride
- English name
- 1,6-Bis(3,4-dihydroxy-2-benzylpyrrolidine)hexane
- Molecular formula
- C28H42Cl2N2O4
- Molecular weight
- 541.55008
Names & synonyms
141839-02-3RS 59022-198RS-59022-198RefChem:1800743,4-Pyrrolidinediol, 1,1'-(1,6-hexanediyl)bis(2-(phenylmethyl))-, dihydrochloride3,4-Pyrrolidinediol, 1,1'-(1,6-hexanediyl)bis(2-(phenylmethyl)-, dihydrochloride1,6-Bis(3,4-dihydroxy-2-benzylpyrrolidine)hexaneDTXSID309312121,1'-(Hexane-1,6-diyl)bis(2-benzylpyrrolidine-3,4-diol)--hydrogen chloride (1/2)
Database identifiers
- CAS
141839-02-3- PubChem CID
- 3083344
- DTXSID
DTXSID30931212
Properties
Computed structural properties
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 531
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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