(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

C15H56O5P32 — CID 59050630

About (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (PubChem CID 59050630) has the molecular formula C15H56O5P32 and a molecular weight of 1307.78 g/mol. Its IUPAC name is (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

• Compound Name: (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
• PubChem CID: 59050630
• Molecular Formula: C15H56O5P32
• Molecular Weight: 1307.78 g/mol
• Exact Mass: 1307.57
• IUPAC Name: (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
• SMILES: CC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(=O)[C@H](O)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
• InChI: InChI=1S/C15H56O5P32/c1-6-9(18-41(50(37)45(28)29)52(47(32)33)48(34)35)5-8-12(17)11(16)7(2)13(19-39(42(22)23)49(36)44(26)27)14(10(6)15(8,3)4)20-40(43(24)25)51(38-21)46(30)31/h7-9,12-14,17,38H,5,21-37H2,1-4H3/t7-,8?,9-,12+,13+,14+,39?,40?,41?,49?,50?,51?/m0/s1
• InChIKey: NGTNZKRPYAPGMR-VRSXCWGGSA-N
• XLogP: 19.67
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.78
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The IUPAC name of (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (CID 59050630) is (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

What is the SMILES notation for (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The canonical SMILES for (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is CC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(=O)[C@H](O)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.

What is the InChIKey of (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The InChIKey is NGTNZKRPYAPGMR-VRSXCWGGSA-N. The full InChI is InChI=1S/C15H56O5P32/c1-6-9(18-41(50(37)45(28)29)52(47(32)33)48(34)35)5-8-12(17)11(16)7(2)13(19-39(42(22)23)49(36)44(26)27)14(10(6)15(8,3)4)20-40(43(24)25)51(38-21)46(30)31/h7-9,12-14,17,38H,5,21-37H2,1-4H3/t7-,8?,9-,12+,13+,14+,39?,40?,41?,49?,50?,51?/m0/s1.

What are the key properties of (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

(2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 1307.78 g/mol, XLogP of 19.67, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-hydroxy-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 59050630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).