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(Q82302655)
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English
1,2,3,4,6-Penta-O-acetyl-D-mannopyranose
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
390.11621152399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₁₁
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)OC[C@H]1OC(OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15+,16?/m1/s1
0 references
InChIKey
LPTITAGPBXDDGR-WHWZVRATSA-N
0 references
CAS Registry Number
25941-03-1
0 references
PubChem CID
11811209
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24626500
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70473323
0 references
DSSTOX compound identifier
DTXCID10424137
0 references
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