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CAK

概要
表記:[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE
別名:[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL PHOSPHORIC ACID
組成式:C7 H15 O8 P
電荷:0
化学式量:258.163 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
OpenEye OEToolkits1.5.0[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=P(O)(O)OCC1CC(O)C(O)C(O)C1O
SMILES_CANONICALCACTVS3.341O[C@@H]1C[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.341O[CH]1C[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(C(C(C1O)O)O)O)COP(=O)(O)O
InChIInChI1.03InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1
InChIKeyInChI1.03FPLZFJHCPYNBEO-OVHBTUCOSA-N

224931

件を2024-09-11に公開中

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