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The molecular formula is C11H18O8.
The synonyms are EINECS 305-292-6, Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate, and 94405-96-6.
The molecular weight is 278.26 g/mol.
The IUPAC name is methyl 3-oxo-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoate.
The InChI is InChI=1S/C11H18O8/c1-18-8(14)3-5(13)2-6-9(15)11(17)10(16)7(4-12)19-6/h6-7,9-12,15-17H,2-4H2,1H3/t6-,7+,9-,10+,11+/m0/s1.
The InChIKey is XLUDPIYTXVEGSE-FZHDAFOHSA-N.
The Canonical SMILES is COC(=O)CC(=O)CC1C(C(C(C(O1)CO)O)O)O.
The Isomeric SMILES is COC(=O)CC(=O)C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.
The CAS number is 94405-96-6.
The molecular weight is 278.26 g/mol, the XLogP3-AA value is -2.3, and the hydrogen bond donor count is 4.
94402-56-1
94405-93-3
94405-95-5
94405-97-7
94405-98-8
94405-99-9
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