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CHEBI:38350 - (7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)

ChEBI IDCHEBI:38350
ChEBI Name(7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
Stars
ASCII Name(7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11)
DefinitionAn optically active form of 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) that has (7S)-configuration.
Last Modified11 January 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H19B9N4
Net Charge0
Average Mass268.576
Monoisotopic Mass270.24472
SMILES[H]N([H])c1nc(N([H])[H])c(C([H])([H])C234B56([H])B78([H])B9%10([H])C2%11([H])B92%12([H])B7%109([H])B857([H])B635([H])B%1142([H])B97%125[H])c(C([H])([H])[H])n1
InChIInChI=1S/C8H19B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h7,9-17H,2H2,1H3,(H4,18,19,20,21)
InChIKeyXVJDFUQURIHDSJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38350) is a 7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38348)
(7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38350) is enantiomer of (7R)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38349)
Incoming Relation(s)
(7R)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38349) is enantiomer of (7S)-7-[(2,4-diamino-6-methylpyrimidin-5-yl)methyl]-7,8-dicarba-nido-undecaborane(11) (CHEBI:38350)
IUPAC Name 
5-{[(7S)-7,8-dicarba-nido-undecaborane(11)-7-yl]methyl}-6-methylpyrimidine-2,4-diamine
Synonym  Source
(R)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINEPDBeChem
Manual XrefsDatabases
39EPDBeChem