Chem
J-GLOBAL ID:200907084982664518
Nikkaji number:J319.987H
(2S)-2-Isopropylmalate
2-イソプロピル-D-りんご酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C7 H12 O5
Molecular formula furigana:
C7-H12-O5
Molecular weight:
176.168
InChI:
InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
InChI key:
BITYXLXUCSKTJS-ZETCQYMHSA-N
SMILES:
CC(C)[C@@](O)(CC(=O)O)C(=O)O
Systematic name (5):
(S)-2-ヒドロキシ-2-(1-メチルエチル)ブタン二酸
2-イソプロピル-D-りんご酸
(S)-2-イソプロピル-2-ヒドロキシブタン二酸
(2S)-2-ヒドロキシ-2-(プロパン-2-イル)ブタン二酸
(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
Other name (4):
(S)-2-Hydroxy-2-(1-methylethyl)butanedioic acid
2-Isopropyl-D-malic acid
(S)-2-Isopropyl-2-hydroxybutanedioic acid
(2S)-2-Isopropylmalate
CAS registry number:
49601-06-1
Regulation number (1):
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