Chem
J-GLOBAL ID：200907000590076201
Nikkaji number：J1.892.136G
(4S)-2,4α,5β-Trihydroxy-6α-[(1R,2S)-1,2,3-trihydroxy(3-13C)propyl]tetrahydro-2H-pyran-2-carboxylic acid
(4S,5R,6R)-2,4,5-トリヒドロキシ-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： C8[13C]H16O9
Molecular formula furigana： C9-H16-O9
Molecular weight： 269.210
InChI：
InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6-,7+,9?/m0/s1/i2+1
InChI key：
CLRLHXKNIYJWAW-FBQHKGAISA-N
SMILES：
O[13CH2][C@@H](O)[C@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1O)C(=O)O
Systematic name (3)：
- (4S)-2,4α,5β-トリヒドロキシ-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)-2,4,5-トリヒドロキシ-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)-2,4,5-trihydroxy-6-[(1R,2S)-1,2,3-trihydroxy(3-13C)propyl]oxane-2-carboxylic acid
- (4S)-2,4α,5β-Trihydroxy-6α-[(1R,2S)-1,2,3-trihydroxy(3-13C)propyl]tetrahydro-2H-pyran-2-carboxylic acid
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