2,3-Dihydroxybutanedioic acid--17-butylmorphinan-3-ol (1/1)
Basic information
- CAS
63732-50-3- Standard SMILES
CCCCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
YIBWJJLTYYSHCZ-JEJPKGPBSA-N- Molecular formula
- C24H35NO7
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.24135246
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--17-butylmorphinan-3-ol (1/1)
- IUPAC
- (1R,9R,10R)-17-butyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
63732-50-3DTXSID309802202,3-Dihydroxybutanedioic acid--17-butylmorphinan-3-ol (1/1)RefChem:1059415DTXCID701407498(-)-17-Butylmorphinan-3-ol tartrateMorphinan-3-ol, 17-butyl-, tartrate, (-)-(2R,3R)-2,3-Dihydroxybutanedioic acid--17-butylmorphinan-3-ol (1/1)
Database identifiers
- CAS
63732-50-3- PubChem CID
- 5486085
- DTXSID
DTXSID30980220
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 531
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Related reactions
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Compound notes
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