44E

(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate

Created:	2015-02-03
Last modified:	2016-02-03

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14 entries where 44E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	0

2D diagram of 44E

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Chemical Component Summary
Name	(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
Systematic Name (OpenEye OEToolkits)	[(2R)-2-hexanoyloxy-3-phosphonooxy-propyl] hexanoate
Formula	C₁₅ H₂₉ O₈ P
Molecular Weight	368.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC
SMILES	CACTVS	3.385	CCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCC
SMILES	OpenEye OEToolkits	1.9.2	CCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCC
Canonical SMILES	CACTVS	3.385	CCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCC
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC
InChI	InChI	1.03	InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1
InChIKey	InChI	1.03	SFZZRGHNPILUOD-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	9547165
ChEBI	CHEBI:131508

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