G2A

2-hydroxy-1-(hydroxymethyl)ethyl icosanoate

Created:2012-06-26
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count0
Bond Count72
Aromatic Bond Count0
2D diagram of G2A

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Chemical Component Summary

Name2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
Systematic Name (OpenEye OEToolkits)1,3-bis(oxidanyl)propan-2-yl icosanoate
FormulaC23 H46 O4
Molecular Weight386.609
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
SMILESOpenEye OEToolkits1.9.2CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Canonical SMILESCACTVS3.385 CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Canonical SMILESOpenEye OEToolkits1.9.2 CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChIInChI1.03 InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3
InChIKeyInChI1.03 KECCPKLXQUOWMI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 537294