(Q82879923)

English

2-Chloro-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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524.9618584899997 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₀H₁₅ClN₅O₁₂P₃

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canonical SMILES

Nc1nc(Cl)nc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

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Identifiers

InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1

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PZCJNHCKXRBBNN-KVQBGUIXSA-N

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CAS Registry Number

0 references

1 reference

matched by identifier from

PZCJNHCKXRBBNN-KVQBGUIXSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C10H15ClN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6+/m0/s1

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PZCJNHCKXRBBNN-KVQBGUIXSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

PZCJNHCKXRBBNN-KVQBGUIXSA-N

DSSTOX compound identifier

DTXCID901339213

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PZCJNHCKXRBBNN-KVQBGUIXSA-N

1 reference

matched by identifier from

PZCJNHCKXRBBNN-KVQBGUIXSA-N

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