2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) (Q27463760)

UNII-M5XXZ2MQ75 (English)

19 October 2016

chemical formula

C₉H₁₂N₃O₁₀P

1 reference

UNII-M5XXZ2MQ75 (English)

19 October 2016

canonical SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O

1 reference

UNII-M5XXZ2MQ75 (English)

19 October 2016

isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O

1 reference

UNII-M5XXZ2MQ75 (English)

InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

UNII-M5XXZ2MQ75 (English)

LVLPVLNNXRTCHP-RRKCRQDMSA-N

19 October 2016

InChIKey

1 reference

UNII-M5XXZ2MQ75 (English)

19 October 2016

0 references

1 reference

2'-Deoxy-5-nitrouridine 5'-(dihydrogen phosphate) (English)

19 October 2016

2 references

UNII-M5XXZ2MQ75 (English)

matched by identifier from

19 October 2016

InChIKey

LVLPVLNNXRTCHP-RRKCRQDMSA-N

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL1234672 (English)

19 October 2016

1 reference

2 references

matched by identifier from

InChIKey

LVLPVLNNXRTCHP-RRKCRQDMSA-N

DSSTOX compound identifier

0 references

0 references

1 reference

3B5B (English)