1QW

(2R)-2,3-dihydroxypropyl dodecanoate

Created:	2013-05-01
Last modified:	2021-03-01

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3 entries where 1QW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	0

2D diagram of 1QW

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Chemical Component Summary
Name	(2R)-2,3-dihydroxypropyl dodecanoate
Synonyms	1-Lauroyl-rac-glycerol
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-bis(oxidanyl)propyl] dodecanoate
Formula	C₁₅ H₃₀ O₄
Molecular Weight	274.396
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(O)CO)CCCCCCCCCCC
SMILES	CACTVS	3.370	CCCCCCCCCCCC(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCC(=O)OCC(CO)O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCC(=O)OC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI	InChI	1.03	InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1
InChIKey	InChI	1.03	ARIWANIATODDMH-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	71598538
ChEBI	CHEBI:75528

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