(Q82897078)

English

3-[(2-Deoxy-3-O-{2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}-2-[(1-hydroxyethylidene)amino]hexopyranosyl)oxy]-2-({2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)propyl dihydrogen pho sphate

group of stereoisomers with the chemical formula C₂₇H₄₈N₃O₂₁P

In more languages

Statements

group of stereoisomers

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chemical compound

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781.2517921860002 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₈N₃O₂₁P

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based on heuristic

inferred from SMILES

canonical SMILES

CC(O)=NC1C(OC(COC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C2N=C(C)O)COP(=O)(O)O)OC(CO)C(O)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)N[C@H]1[C@@H](OC(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2NC(C)=O)COP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C27H48N3O21P/c1-9(34)28-16-22(40)19(37)13(4-31)49-26(16)47-12(8-46-52(42,43)44)7-45-25-18(30-11(3)36)24(21(39)15(6-33)48-25)51-27-17(29-10(2)35)23(41)20(38)14(5-32)50-27/h12-27,31-33,37-41H,4-8H2,1-3H3,(H,28,34)(H,29,35)(H,30,36)(H2,42,43,44)/t12?,13-,14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,26+,27-/m1/s1

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AWKIAVUDIDGXHF-UFFYTIMTSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401352002

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