Chem
J-GLOBAL ID:200907022927424219
Nikkaji number:J2.110.139G
1-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)-3-phenylurea
1-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-3-フェニル尿素
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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:
C21 H26 N2 O10
Molecular formula furigana:
C21-H26-N2-O10
Molecular weight:
466.443
InChI:
InChI=1S/C21H26N2O10/c1-11(24)29-10-16-17(30-12(2)25)18(31-13(3)26)19(32-14(4)27)20(33-16)23-21(28)22-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3,(H2,22,23,28)/t16-,17-,18+,19-,20-/m1/s1
InChI key:
KLBHQQSOSGCAFO-OUUBHVDSSA-N
SMILES:
CC(=O)OC[C@H]1O[C@@H](NC(=O)Nc2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name (3):
1-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)-3-フェニル尿素
[(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(フェニルカルバモイル)アミノ]オキサン-2-イル]メチル アセタート
[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(phenylcarbamoyl)amino]oxan-2-yl]methyl acetate
Other name (1):
1-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyl)-3-phenylurea
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