sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate

C44H138F2NaO7P71 — CID 164994033

About sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate

sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate (PubChem CID 164994033) has the molecular formula C44H138F2NaO7P71 and a molecular weight of 3039.72 g/mol. Its IUPAC name is sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate.

Molecular Properties

• Compound Name: sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate
• PubChem CID: 164994033
• Molecular Formula: C44H138F2NaO7P71
• Molecular Weight: 3039.72 g/mol
• Exact Mass: 3039.17
• IUPAC Name: sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate
• SMILES: C=CC(=C)[C@@H]1C[C@@H](O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@H]1C.C=CC(=C)[C@@H]1C[C@@H](OC(=O)CF)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@H]1C.O=C([O-])CF.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.[Na+]
• InChI: InChI=1S/C22H31FO3.C20H30O2.C2H3FO2.Na.H38P36.H37P35/c1-6-13(2)16-11-18(26-19(25)12-23)21(5)14(3)7-9-22(15(16)4)10-8-17(24)20(21)22;1-6-12(2)15-11-17(22)19(5)13(3)7-9-20(14(15)4)10-8-16(21)18(19)20;3-1-2(4)5;;1-20(2)29(19)34(30(21(3)4)22(5)6)36(33(27(15)16)28(17)18)35(31(23(7)8)24(9)10)32(25(11)12)26(13)14;1-19-28(18)33(29(20(2)3)21(4)5)35(32(26(14)15)27(16)17)34(30(22(6)7)23(8)9)31(24(10)11)25(12)13/h6,14-16,18,20H,1-2,7-12H2,3-5H3;6,13-15,17-18,22H,1-2,7-11H2,3-5H3;1H2,(H,4,5);;1-19H2;19H,1-18H2/q;;;+1;;/p-1/t14-,15+,16+,18-,20+,21+,22+;13-,14+,15+,17-,18+,19+,20+;;;;/m11..../s1
• InChIKey: HHDKACYNGYVUSG-GATKIZBQSA-M
• XLogP: 45.59
• TPSA: 120.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 39
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3039.72
LogP ≤ 5	45.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate?

The IUPAC name of sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate (CID 164994033) is sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate.

What is the SMILES notation for sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate?

The canonical SMILES for sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate is C=CC(=C)[C@@H]1C[C@@H](O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@H]1C.C=CC(=C)[C@@H]1C[C@@H](OC(=O)CF)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@H]1C.O=C([O-])CF.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.[Na+].

What is the InChIKey of sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate?

The InChIKey is HHDKACYNGYVUSG-GATKIZBQSA-M. The full InChI is InChI=1S/C22H31FO3.C20H30O2.C2H3FO2.Na.H38P36.H37P35/c1-6-13(2)16-11-18(26-19(25)12-23)21(5)14(3)7-9-22(15(16)4)10-8-17(24)20(21)22;1-6-12(2)15-11-17(22)19(5)13(3)7-9-20(14(15)4)10-8-16(21)18(19)20;3-1-2(4)5;;1-20(2)29(19)34(30(21(3)4)22(5)6)36(33(27(15)16)28(17)18)35(31(23(7)8)24(9)10)32(25(11)12)26(13)14;1-19-28(18)33(29(20(2)3)21(4)5)35(32(26(14)15)27(16)17)34(30(22(6)7)23(8)9)31(24(10)11)25(12)13/h6,14-16,18,20H,1-2,7-12H2,3-5H3;6,13-15,17-18,22H,1-2,7-11H2,3-5H3;1H2,(H,4,5);;1-19H2;19H,1-18H2/q;;;+1;;/p-1/t14-,15+,16+,18-,20+,21+,22+;13-,14+,15+,17-,18+,19+,20+;;;;/m11..../s1.

What are the key properties of sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate?

sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate has a molecular weight of 3039.72 g/mol, XLogP of 45.59, 39 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-7-hydroxy-6,10,13-trimethyltricyclo[4.4.3.01,5]tridecan-4-one;[(1S,5R,6R,7R,9R,10S,13R)-9-buta-1,3-dien-2-yl-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] 2-fluoroacetate;2-fluoroacetate is sourced from PubChem (CID 164994033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).