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D-Glucitol 3-(bromoacetate)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
302.00011492
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₈H₁₅BrO₇
0 references
canonical SMILES
O=C(CBr)OC(C(O)CO)C(O)C(O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C([C@H]([C@H]([C@@H]([C@H](CO)O)OC(=O)CBr)O)O)O
0 references
Identifiers
InChI
InChI=1S/C8H15BrO7/c9-1-6(14)16-8(5(13)3-11)7(15)4(12)2-10/h4-5,7-8,10-13,15H,1-3H2/t4-,5+,7-,8-/m1/s1
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InChIKey
OSBOGWJBMWVGFO-IXROVEORSA-N
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CAS Registry Number
94201-41-9
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PubChem CID
44147332
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UniChem compound ID
55180380
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70241004
1 reference
matched by identifier from
InChIKey
InChIKey
OSBOGWJBMWVGFO-IXROVEORSA-N
DSSTOX compound identifier
DTXCID30163495
0 references
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