AG8

S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate

Created:	2010-12-21
Last modified:	2011-06-04

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2 entries where AG8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	0
Bond Count	65
Aromatic Bond Count	0

2D diagram of AG8

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Chemical Component Summary
Name	S-[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyltetradeca-2,6,10-trien-1-yl] trihydrogen thiodiphosphate
Systematic Name (OpenEye OEToolkits)	[(2E,6E,10E)-14-(dimethylamino)-3,7,11-trimethyl-tetradeca-2,6,10-trienyl]sulfanyl-phosphonooxy-phosphinic acid
Formula	C₁₉ H₃₇ N O₆ P₂ S
Molecular Weight	469.513
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(OP(=O)(O)SC/C=C(/CC\C=C(/C)CC\C=C(/C)CCCN(C)C)C)O
SMILES	CACTVS	3.370	CN(C)CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)CCCN(C)C
Canonical SMILES	CACTVS	3.370	CN(C)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CS[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C/C(=C\CC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C
InChI	InChI	1.03	InChI=1S/C19H37NO6P2S/c1-17(9-6-11-18(2)13-8-15-20(4)5)10-7-12-19(3)14-16-29-28(24,25)26-27(21,22)23/h10-11,14H,6-9,12-13,15-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b17-10+,18-11+,19-14+
InChIKey	InChI	1.03	WNRLOKILDUQQLN-WNWLUAIZSA-N

Related Resource References

Resource Name	Reference
PubChem	51346763

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