PXN

(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol

Created:	2010-04-21
Last modified:	2020-06-05

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12 entries where PXN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	4
Bond Count	60
Aromatic Bond Count	0

2D diagram of PXN

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Chemical Component Summary
Name	(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
Synonyms	PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)
Systematic Name (OpenEye OEToolkits)	(2R)-1-[3-[(2S)-2-hydroxypropoxy]-2,2-bis[[(2R)-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
Formula	C₁₇ H₃₆ O₈
Molecular Weight	368.463
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
SMILES	CACTVS	3.370	C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O
SMILES	OpenEye OEToolkits	1.7.0	CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O
Canonical SMILES	CACTVS	3.370	C[C@@H](O)COC[C@](COC[C@H](C)O)(COC[C@@H](C)O)COC[C@@H](C)O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O
InChI	InChI	1.03	InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1
InChIKey	InChI	1.03	GXEZGLLPFFKHGE-FPCVCCKLSA-N

Related Resource References

Resource Name	Reference
PubChem	45489525

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.