(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one

C21H57O4P23 — CID 59041943

About (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one

(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one (PubChem CID 59041943) has the molecular formula C21H57O4P23 and a molecular weight of 1086.08 g/mol. Its IUPAC name is (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one.

Molecular Properties

• Compound Name: (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
• PubChem CID: 59041943
• Molecular Formula: C21H57O4P23
• Molecular Weight: 1086.08 g/mol
• Exact Mass: 1085.82
• IUPAC Name: (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
• SMILES: C=C(CCCC)[C@H]1[C@H](O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@@H]1C)C2(C)C
• InChI: InChI=1S/C21H57O4P23/c1-7-8-9-11(2)16-13(4)18(22)20(25-39(41(27)28)47(38-26)43(31)32)17-12(3)15(10-14(19(16)23)21(17,5)6)24-40(46(37)42(29)30)48(44(33)34)45(35)36/h13-16,19-20,23,38H,2,7-10,26-37H2,1,3-6H3/t13-,14?,15+,16-,19-,20-,39?,40?,46?,47?/m1/s1
• InChIKey: XCJHGUZBGRVBNQ-PEKZOSBWSA-N
• XLogP: 17.11
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.08
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

The IUPAC name of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one (CID 59041943) is (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one.

What is the SMILES notation for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

The canonical SMILES for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one is C=C(CCCC)[C@H]1[C@H](O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@@H]1C)C2(C)C.

What is the InChIKey of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

The InChIKey is XCJHGUZBGRVBNQ-PEKZOSBWSA-N. The full InChI is InChI=1S/C21H57O4P23/c1-7-8-9-11(2)16-13(4)18(22)20(25-39(41(27)28)47(38-26)43(31)32)17-12(3)15(10-14(19(16)23)21(17,5)6)24-40(46(37)42(29)30)48(44(33)34)45(35)36/h13-16,19-20,23,38H,2,7-10,26-37H2,1,3-6H3/t13-,14?,15+,16-,19-,20-,39?,40?,46?,47?/m1/s1.

What are the key properties of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?

(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one has a molecular weight of 1086.08 g/mol, XLogP of 17.11, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-hex-1-en-2-yl-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one is sourced from PubChem (CID 59041943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).