5-Methyl hydrogen 3-C-carboxy-2,4-dideoxy-2-tetradecylpentarate
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5-Methyl hydrogen 3-C-carboxy-2,4-dideoxy-2-tetradecylpentarate
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CAS No:
29227-64-3
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Formula:
C21H38O7
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Chemical Name:
5-Methyl hydrogen 3-C-carboxy-2,4-dideoxy-2-tetradecylpentarate
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Synonyms:
Pentaric acid,3-C-carboxy-2,4-dideoxy-2-tetradecyl-,5-methyl ester;1,2,3-Heptadecanetricarboxylic acid,2-hydroxy-,1-methyl ester;Caperatic acid;5-Methyl hydrogen 3-C-carboxy-2,4-dideoxy-2-tetradecylpentarate;11003-37-5
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CAS No:
Characteristics
121 Ų
132-133.5 °C
211 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Computed Properties
Molecular Weight:402.5
XLogP3:5.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:19
Exact Mass:402.26175355
Monoisotopic Mass:402.26175355
Topological Polar Surface Area:121
Heavy Atom Count:28
Complexity:464
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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