4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid
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![4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/31d81cf0904c4b908482a6d490f3c12b.png "4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid")
4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid
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CAS No:
129706-46-3
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Formula:
C15H19NO3S2
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Chemical Name:
4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid
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Synonyms:
L-PABA;lipo-PAB;lipoyl-4-aminobenzoic acid;lipoyl-p-aminobenzoate;129706-46-3;Lipo-pab;Lipoyl-4-aminobenzoic acid;L-Paba;Lipoyl-p-aminobenzoate;SCHEMBL8521070;CHEMBL3099568;DTXSID70926465;4-{[5-(1,2-Dithiolan-3-yl)pentanoyl]amino}benzoic acid;Benzoic acid, 4-((5-(1,2-dithiolan-3-yl)-1-oxopentyl)amino)-, (R)-
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CAS No:
4-[5-[(3R)-dithiolan-3-yl]pentanoylamino]benzoic acid Basic Attributes
325.5 g/mol
325.08063582 g/mol
Computed Properties
Molecular Weight:325.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:325.08063582
Monoisotopic Mass:325.08063582
Topological Polar Surface Area:117
Heavy Atom Count:21
Complexity:357
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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