G2A

2-hydroxy-1-(hydroxymethyl)ethyl icosanoate

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

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1 entries where G2A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	73
Chiral Atom Count	0
Bond Count	72
Aromatic Bond Count	0

2D diagram of G2A

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Chemical Component Summary
Name	2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
Systematic Name (OpenEye OEToolkits)	1,3-bis(oxidanyl)propan-2-yl icosanoate
Formula	C₂₃ H₄₆ O₄
Molecular Weight	386.609
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI	InChI	1.03	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
InChIKey	InChI	1.03	KECCPKLXQUOWMI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	537294

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