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MDA

概要
表記:2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose
別名:2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDE
2,6-dideoxy-3-C-methyl-beta-D-ribo-hexose; 2,6-dideoxy-3-C-methyl-D-ribo-hexose; 2,6-dideoxy-3-C-methyl-ribo-hexose
組成式:C7 H14 O4
電荷:0
化学式量:162.184 Da
分子種別:D-saccharide, beta linking

化合物名

プログラムバージョン表記
ACDLabs10.042,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose
OpenEye OEToolkits1.5.0(2R,4S,5R,6R)-4,6-dimethyloxane-2,4,5-triol

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04OC1(C)C(O)C(OC(O)C1)C
SMILES_CANONICALCACTVS3.341C[C@H]1O[C@@H](O)C[C@](C)(O)[C@@H]1O
SMILESCACTVS3.341C[CH]1O[CH](O)C[C](C)(O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]1[C@H]([C@@](C[C@@H](O1)O)(C)O)O
SMILESOpenEye OEToolkits1.5.0CC1C(C(CC(O1)O)(C)O)O
InChIInChI1.03InChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1
InChIKeyInChI1.03YQLFLCVNXSPEKQ-GBNDHIKLSA-N

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件を2024-07-17に公開中

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