HG3

[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate

Created: 2016-08-11
Last modified:  2017-01-18

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of HG3

Chemical Component Summary

Name[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)[(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate
FormulaC3 H9 O7 P
Molecular Weight188.073
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC(O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.5C(C(C(O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.385 OC(O)[C@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.5 C([C@H](C(O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C3H9O7P/c4-2(3(5)6)1-10-11(7,8)9/h2-6H,1H2,(H2,7,8,9)/t2-/m1/s1
InChIKeyInChI1.03 TWWJQBIRJNUHBT-UWTATZPHSA-N

Related Resource References

Resource NameReference
PubChem 131206599