Methanesulfonic acid--2,2'-azanediylbis[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-ol] (1/1)
Basic information
- CAS
81737-62-4- Standard SMILES
CS(=O)(=O)O.OC(CNCC(O)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1- InChIKey
TWESTNYMJIMXRF-PCKGKAHBSA-N- Molecular formula
- C21H27NO9S
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.14065261
Names & identifiers
- Preferred name
- Methanesulfonic acid--2,2'-azanediylbis[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-ol] (1/1)
- IUPAC
- 1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-hydroxyethyl]amino]ethanol;methanesulfonic acid
Names & synonyms
DTXSID101002175Methanesulfonic acid--2,2'-azanediylbis[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-ol] (1/1)Methanesulfonic acid--2,2'-azanediylbis{1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]ethan-1-ol} (1/1)
Database identifiers
- CAS
81737-62-4- PubChem CID
- 54775
- DTXSID
DTXSID101002175
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 518
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Related reactions
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Compound notes
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