N4O

(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate

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

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of N4O

Chemical Component Summary

Name(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(2~{R})-2-oxidanyl-3-oxidanylidene-butyl] dihydrogen phosphate
FormulaC4 H9 O6 P
Molecular Weight184.084
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)OCC(O)C(C)=O
SMILESCACTVS3.385CC(=O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7CC(=O)C(COP(=O)(O)O)O
Canonical SMILESCACTVS3.385 CC(=O)[C@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)[C@@H](COP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1
InChIKeyInChI1.03 OKYHYXLCTGGOLM-SCSAIBSYSA-N

Related Resource References

Resource NameReference
PubChem 125437