Chem
J-GLOBAL ID:201507017563452976
Nikkaji number:J3.439.972G
1-Methyl-3-trityl-5-[(1S,2S)-1-hydroxy-2-azido-2-(methoxycarbonyl)ethyl]-1H-imidazole-3-ium
1-メチル-3-トリチル-5-[(1S,2S)-1-ヒドロキシ-2-アジド-2-(メトキシカルボニル)エチル]-1H-イミダゾール-3-イウム
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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:
C27 H26 N2 [N-][N+]2 O3
Molecular formula furigana:
C27-H26-N5-O3
Molecular weight:
468.536
InChI:
InChI=1S/C27H26N5O3/c1-31-19-32(18-23(31)25(33)24(29-30-28)26(34)35-2)27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,24-25,33H,1-2H3/q+1/t24-,25+/m0/s1
InChI key:
NGTLFKXPCSONCQ-LOSJGSFVSA-N
SMILES:
COC(=O)[C@@H](N=[N+]=[N-])[C@H](O)c1c[n+](cn1C)C(c1ccccc1)(c1ccccc1)c1ccccc1
Systematic name (3):
1-メチル-3-トリチル-5-[(1S,2S)-1-ヒドロキシ-2-アジド-2-(メトキシカルボニル)エチル]-1H-イミダゾール-3-イウム
5-[(1S,2S)-2-アジド-1-ヒドロキシ-3-メトキシ-3-オキソプロピル]-1-メチル-3-(トリフェニルメチル)-1H-イミダゾール-3-イウム
5-[(1S,2S)-2-azido-1-hydroxy-3-methoxy-3-oxopropyl]-1-methyl-3-(triphenylmethyl)-1H-imidazol-3-ium
Other name (1):
1-Methyl-3-trityl-5-[(1S,2S)-1-hydroxy-2-azido-2-(methoxycarbonyl)ethyl]-1H-imidazole-3-ium
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