DPG

PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER

Created:	1999-07-08
Last modified:	2021-03-01

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2 entries where DPG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	155
Chiral Atom Count	9
Bond Count	154
Aromatic Bond Count	0

2D diagram of DPG

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Chemical Component Summary
Name	PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER
Synonyms	DPHPG
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-bis[(3S,7R,11S)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S)-2-hydroxy-3-phosphonooxy-propyl] hydrogen phosphate
Formula	C₄₆ H₉₆ O₁₁ P₂
Molecular Weight	887.195
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)COP(=O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
SMILES	CACTVS	3.341	CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COP(=O)(O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Canonical SMILES	CACTVS	3.341	CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO[P](O)(O)=O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C
InChI	InChI	1.03	InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/t39-,40-,41+,42+,43-,44-,45-,46+/m0/s1
InChIKey	InChI	1.03	TZXJQSKPTCRGCA-QVBLKRSVSA-N

Related Resource References

Resource Name	Reference
PubChem	449312

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.