FAW

(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate

Created:	2015-04-14
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	96
Chiral Atom Count	1
Bond Count	95
Aromatic Bond Count	0

2D diagram of FAW

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Chemical Component Summary
Name	(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
Systematic Name (OpenEye OEToolkits)	[(2S)-3-oxidanyl-2-tetradecanoyloxy-propyl] tetradecanoate
Formula	C₃₁ H₆₀ O₅
Molecular Weight	512.805
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3/t29-/m0/s1
InChIKey	InChI	1.03	JFBCSFJKETUREV-LJAQVGFWSA-N

Related Resource References

Resource Name	Reference
PubChem	10369168
ChEBI	CHEBI:80651

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