PSEUDOURIDINE 5'-PHOSPHATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 88NC65Q5EZ

Structure

InChI Key MOBMOJGXNHLLIR-GBNDHIKLSA-N
Smiles O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChI
InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N2O9P
Molecular Weight 324.04
AlogP -1.84
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 182.69
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 1157-60-4
NORMAN SUSDAT
FDA SRS 88NC65Q5EZ
PubChem 439424
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