Presqualene Diphosphate

[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate

Also Known As: presqualene diphosphate|Presqualene|Z-PSDP|Presqualene pyrophosphate|Presqualene diphosphoric acid|GTPL3053|[({[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid|(1alpha,2beta(E),3beta(1E,5E))-Diphosphoric acid mono((2-(4,8-dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropyl)methyl) ester|[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate|[(1S,2S,3S)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate|{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl trihydrogen diphosphate|(((((1S,2S,3S)-2-((3E)-4,8-dimethylnona-3,7-dien-1-yl)-2-methyl-3-((1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl)cyclopropyl)methoxy)(hydroxy)phosphoryl)oxy)phosphonic acid|((1R,2R,3R)-2-((e)-4,8-Dimethylnona-3,7-dienyl)-2-methyl-3-((2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-yl)methyl diphosphate|((1R,2R,3R)-2-((e)-4,8-Dimethylnona-3,7-dienyl)-2-methyl-3-((2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-yl)methyl diphosphoric acid|((1S,2S,3S)-2-((3E)-4,8-dimethylnona-3,7-dien-1-yl)-2-methyl-3-((2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl)cyclopropan-1-yl)methyl trihydrogen diphosphate|((1S,2S,3S)-2-((E)-4,8-dimethylnona-3,7-dienyl)-2-methyl-3-((2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-yl)methyl diphosphate|((1S,2S,3S)-2-((e)-4,8-Dimethylnona-3,7-dienyl)-2-methyl-3-((2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropan-1-yl)methyl diphosphoric acid|[(1R,2R,3R)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate|[(1R,2R,3R)-2-[(e)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphoric acid|[(1S,2S,3S)-2-[(e)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphoric acid|{(1r,2r,3r)-2-[(3e)-4,8-Dimethylnona-3,7-Dien-1-Yl]-2-Methyl-3-[(1e,5e)-2,6,10-Trimethylundeca-1,5,9-Trien-1-Yl]cyclopropyl}methyl Trihydrogen Diphosphate|Diphosphoric acid alpha-[[(1S,2S,3S)-2-[(3E)-4,8-dimethyl-3,7-nonadienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropyl]methyl] ester|Diphosphoric acid,P-[[(1R,2R,3R)-2-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrien-1-yl]cyclopropyl]methyl]ester, rel-|rel-P-[[(1R,2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrien-1-yl]cyclopropyl]methyl] trihydrogen (diphosphate)

Molecular Formula	C30H52O7P2
Molecular Weight	586.31885 g/mol
LogP	9.3571
Topological Polar Surface Area	113.29 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	18
Exact Mass	586.31885
Monoisotopic Mass	586.31885
Heavy Atoms	39
Complexity	1039.529

Chemical Identifiers

CAS Number	29849-75-0
SMILES	CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)C