A-349821   Click here for help

GtoPdb Ligand ID: 1217

Synonyms: A 349821 | A-349,821 | A349821
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 97.36
Molecular weight 320.15
XLogP 0.49
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COC(C(C(OC(=O)C)COC(=O)C)OC)C(OC(=O)C)C
Isomeric SMILES CO[C@H]([C@H]([C@H](C(OC(=O)C)[2H])OC(=O)C)OC)[C@@H](OC(=O)C)C
InChI InChI=1S/C14H24O8/c1-8(21-10(3)16)13(18-5)14(19-6)12(22-11(4)17)7-20-9(2)15/h8,12-14H,7H2,1-6H3/t8-,12-,13-,14-/m0/s1/i7D/t7?,8-,12-,13-,14-
InChI Key QMLMVXJUHILWSZ-DKKHZOHASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1,5-diacetyloxy-3,4-dimethoxyhexan-2-yl) acetate
Synonyms Click here for help
A 349821 | A-349,821 | A349821
Database Links Click here for help
GtoPdb PubChem SID 135649873
PubChem CID 15608077
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Wikipedia A-349,821