(4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
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(4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
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CAS No:
114132-84-2
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Formula:
C6H10N2O3S
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Chemical Name:
(4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid
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Synonyms:
4-carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one;4-carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one, trans-(+-)-isomer;4-DMMTPO;CHEMBL29908;114132-84-2;4-Dmmtpo;SCHEMBL18109136;DTXSID30921279;BDBM50020110;Hexahydro-6-(mercaptomethyl)-2-oxo-4-pyrimidinecarboxylic acid cis-(+-)-;6-Mercaptomethyl-2-oxo-hexahydro-pyrimidine-4-carboxylic acid;Cis-6-(mercaptomethyl)-2-oxohexahydropyrimidine-4-carboxylic acid;(4S,6R)-6-Mercaptomethyl-2-oxo-hexahydro-pyrimidine-4-carboxylic acid;4-Carboxy-6-(mercaptomethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one;2-Hydroxy-6-(sulfanylmethyl)-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylic acid, hexahydro-6-(mercaptomethyl)-2-oxo-, cis-(+-)-
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CAS No:
(4S,6R)-2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid Basic Attributes
190.22 g/mol
190.04121336 g/mol
Computed Properties
Molecular Weight:190.22
XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:190.04121336
Monoisotopic Mass:190.04121336
Topological Polar Surface Area:79.4
Heavy Atom Count:12
Complexity:209
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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