Chem
J-GLOBAL ID：200907084177673985
Nikkaji number：J1.964.451K
(3R)-3β-(Phosphonooxy)-4β-hydroxy-5α-[(S)-1-carboxy-1-(phosphonooxy)ethoxy]-1-cyclohexene-1-carboxylic acid
(3R)-3β-(ホスホノオキシ)-4β-ヒドロキシ-5α-[(S)-1-カルボキシ-1-(ホスホノオキシ)エトキシ]-1-シクロヘキセン-1-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： C10H16O14P2
Molecular formula furigana： C10-H16-O14-P2
Molecular weight： 422.172
InChI：
InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1
InChI key：
QUQKBSPZUVNKIF-JQCUSGDOSA-N
SMILES：
C[C@](O[C@@H]1CC(=C[C@@H](OP(=O)(O)O)[C@H]1O)C(=O)O)(OP(=O)(O)O)C(=O)O
Systematic name (3)：
- (3R)-3β-(ホスホノオキシ)-4β-ヒドロキシ-5α-[(S)-1-カルボキシ-1-(ホスホノオキシ)エトキシ]-1-シクロヘキセン-1-カルボン酸
- (3R,4S,5R)-5-[(1S)-1-カルボキシ-1-(ホスホノオキシ)エトキシ]-4-ヒドロキシ-3-(ホスホノオキシ)シクロヘキサ-1-エン-1-カルボン酸
- (3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid
- (3R)-3β-(Phosphonooxy)-4β-hydroxy-5α-[(S)-1-carboxy-1-(phosphonooxy)ethoxy]-1-cyclohexene-1-carboxylic acid
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