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(Q76416629)
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English
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
365.0877442799999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₂₀ClNO₈
0 references
canonical SMILES
CC(=O)NC1C(Cl)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)COC(=O)C)OC(=O)C)OC(=O)C
0 references
Identifiers
InChI
InChI=1S/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)/t10-,11-,12-,13-,14+/m1/s1
0 references
InChIKey
NAYYKQAWUWXLPD-KSTCHIGDSA-N
0 references
CAS Registry Number
3068-34-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
11100622
1 reference
matched by identifier from
InChIKey
InChIKey
NAYYKQAWUWXLPD-KSTCHIGDSA-N
SureChEMBL ID
SCHEMBL3488191
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NAYYKQAWUWXLPD-KSTCHIGDSA-N
UniChem compound ID
14331718
1 reference
stated in
UniChem
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