(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid
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![(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dbacae031771426da11ee25609d301a6.png "(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid")
(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid
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CAS No:
134029-41-7
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Formula:
C12H14BrN3O4
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Chemical Name:
(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid
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Synonyms:
manzacidin A;manzacidin A;134029-41-7;Manzacidine A;(-)-Manzacidin A;(-)-Manzacidine A;CHEMBL1095258;SCHEMBL13700792;DTXSID20928393;(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid;6-{[(4-Bromo-1H-pyrrole-2-carbonyl)oxy]methyl}-6-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
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CAS No:
(4S,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-6-methyl-4,5-dihydro-1H-pyrimidine-4-carboxylic acid Basic Attributes
344.16 g/mol
343.01677 g/mol
Computed Properties
Molecular Weight:344.16
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:343.01677
Monoisotopic Mass:343.01677
Topological Polar Surface Area:104
Heavy Atom Count:20
Complexity:431
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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