Chem
J-GLOBAL ID：200907082301265979
Nikkaji number：J1.892.135I
(4S)-2,4α-Dihydroxy-5β-(acetylamino)-6α-[(1R,2S)-1,2,3-trihydroxy(3-13C)propyl]tetrahydro-2H-pyran-2-carboxylic acid
(4S,5R,6R)-5-アセトアミド-2,4-ジヒドロキシ-6-[(1R,2S)-1,2,3-トリヒドロキシ(3-13C)プロピル]オキサン-2-カルボン酸
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
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
Molecular formula： C10[13C]H19NO9
Molecular formula furigana： C11-H19-N-O9
Molecular weight： 310.263
InChI：
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8-,9+,11?/m0/s1/i3+1
InChI key：
SQVRNKJHWKZAKO-QTSIOJMPSA-N
SMILES：
CC(=O)N[C@@H]1[C@@H](O)CC(O)(O[C@H]1[C@@H](O)[C@H](O)[13CH2]O)C(=O)O
Systematic name (3)：
- (4S)-2,4α-ジヒドロキシ-5β-(アセチルアミノ)-6α-[(1R,2S)-1,2,3-トリヒドロキシ(3-13C)プロピル]テトラヒドロ-2H-ピラン-2-カルボン酸
- (4S,5R,6R)-5-アセトアミド-2,4-ジヒドロキシ-6-[(1R,2S)-1,2,3-トリヒドロキシ(3-13C)プロピル]オキサン-2-カルボン酸
- (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxy(3-13C)propyl]oxane-2-carboxylic acid
- (4S)-2,4α-Dihydroxy-5β-(acetylamino)-6α-[(1R,2S)-1,2,3-trihydroxy(3-13C)propyl]tetrahydro-2H-pyran-2-carboxylic acid
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