N46

(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate

Created: 2022-03-23
Last modified:  2022-07-20

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count1
Bond Count21
Aromatic Bond Count0
2D diagram of N46

Chemical Component Summary

Name(2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(2~{R})-2-oxidanyl-3,4-bis(oxidanylidene)pentyl] dihydrogen phosphate
FormulaC5 H9 O7 P
Molecular Weight212.095
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OCC(O)C(=O)C(C)=O
SMILESCACTVS3.385CC(=O)C(=O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7CC(=O)C(=O)C(COP(=O)(O)O)O
Canonical SMILESCACTVS3.385 CC(=O)C(=O)[C@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)C(=O)[C@@H](COP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1
InChIKeyInChI1.03 DTZHMTDUIGHESZ-SCSAIBSYSA-N

Related Resource References

Resource NameReference
PubChem 102068918