Sulfuric acid--17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1/5)

HCID 6436139CAS 66591-53-5
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Basic information

Standard SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O.O.O.O.O.O=S(=O)(O)O
InChIKey
XJIXIEBYTLLFCV-FAISOMDOSA-N
Molecular formula
C17H31NO12S
Average molar mass
473.5 g/mol
Monoisotopic mass
473.15669643

Names & identifiers

Preferred name
Sulfuric acid--17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1/5)
IUPAC
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate

Names & synonyms

SCHEMBL617118DTXSID00985186Sulfuric acid--17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1/5)66591-53-5Sulfuric acid--17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-3,6alpha-diol--water (1/1/5)

Database identifiers

CAS
66591-53-5
PubChem CID
6436139
DTXSID
DTXSID00985186

Properties

Computed structural properties

Topological polar surface area
141 Ų
Hydrogen bond donors
9
Hydrogen bond acceptors
13
Rotatable bonds
0
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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