Chem
J-GLOBAL ID:200907042937742775
Nikkaji number:J4.728G
Urochloralic acid
ウロクロラール酸
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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:
C8 H11 Cl3 O7
Molecular formula furigana:
C8-H11-CL3-O7
Molecular weight:
325.520
InChI:
InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1
InChI key:
IQOASJJGUQMXDW-GHQVIJFQSA-N
SMILES:
O[C@@H]1[C@@H](O)[C@H](OCC(Cl)(Cl)Cl)O[C@@H]([C@H]1O)C(=O)O
Systematic name (5):
2,2,2-トリクロロエチルβ-D-グルクロニド
2,2,2-トリクロロエチルβ-D-グルコピラノシドウロン酸
2,2,2-トリクロロエチルβ-D-グルクロノピラノシド
(2S,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(2,2,2-トリクロロエトキシ)オキサン-2-カルボン酸
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,2,2-trichloroethoxy)oxane-2-carboxylic acid
Other name (4):
ウロクロラール酸
Urochloralic acid
2,2,2-Trichloroethyl β-D-glucopyranosiduronic acid
2,2,2-Trichloroethyl β-D-glucuronopyranoside
CAS registry number:
97-25-6
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