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(Q82905076)
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English
Naphthalen-2-yl 2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
group of stereoisomers with the chemical formula C₁₆H₁₉O₉P
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
386.0766688179999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₉O₉P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=P(O)(Oc1ccc2ccccc2c1)OC1C(O)C(O)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=P(O)(Oc1ccc2ccccc2c1)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H19O9P/c17-11-12(18)14(20)16(15(21)13(11)19)25-26(22,23)24-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-21H,(H,22,23)/t11?,12-,13+,14-,15-,16?/m0/s1
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InChIKey
JNHJKSFGKYXCCV-FSGNTSDLSA-N
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CAS Registry Number
137888-44-9
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PubChem CID
3036084
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
58884508
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20929926
0 references
DSSTOX compound identifier
DTXCID501358665
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