(Q82853429)

English

N-Cyclohexylcyclohexanamine--4-O-alpha-D-threo-hexopyranosyl-D-threo-hexonic acid (1/1)

group of stereoisomers with the chemical formula C₂₄H₄₅NO₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

539.2941758799998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₅NO₁₂

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based on heuristic

inferred from SMILES

canonical SMILES

C1CCC(NC2CCCCC2)CC1.O=C(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CCC(NC2CCCCC2)CC1.O=C(O)C(O)[C@@H](O)[C@H](O[C@H]1OC(CO)[C@@H](O)[C@H](O)C1O)C(O)CO

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C12H23N.C12H22O12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h11-13H,1-10H2;3-10,12-20H,1-2H2,(H,21,22)/t;3?,4?,5-,6+,7-,8?,9?,10-,12-/m.1/s1

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InChIKey

NPOIXYCQKIAOPS-XXYAZUIFSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID10808690

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(Q82853429)

N-Cyclohexylcyclohexanamine--4-O-alpha-D-threo-hexopyranosyl-D-threo-hexonic acid (1/1)

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Identifiers

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