[(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate

C22H57O7P23 — CID 59904687

About [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate

[(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate (PubChem CID 59904687) has the molecular formula C22H57O7P23 and a molecular weight of 1146.09 g/mol. Its IUPAC name is [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate.

Molecular Properties

• Compound Name: [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate
• PubChem CID: 59904687
• Molecular Formula: C22H57O7P23
• Molecular Weight: 1146.09 g/mol
• Exact Mass: 1145.81
• IUPAC Name: [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate
• SMILES: C=CCC[C@H](OC(=O)OC)[C@@]1(C)C[C@@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](O)C1=O)C2(C)C
• InChI: InChI=1S/C22H57O7P23/c1-7-8-9-16(27-20(25)26-6)22(5)11-15(29-43(45(31)32)51(42-30)47(35)36)17-12(2)14(10-13(21(17,3)4)18(23)19(22)24)28-44(50(41)46(33)34)52(48(37)38)49(39)40/h7,13-16,18,23,42H,1,8-11,30-41H2,2-6H3/t13?,14-,15+,16-,18+,22+,43?,44?,50?,51?/m0/s1
• InChIKey: GXAOXMBTYIRDBX-LUNYCLILSA-N
• XLogP: 16.62
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.09
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?

The IUPAC name of [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate (CID 59904687) is [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate.

What is the SMILES notation for [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?

The canonical SMILES for [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate is C=CCC[C@H](OC(=O)OC)[C@@]1(C)C[C@@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](O)C1=O)C2(C)C.

What is the InChIKey of [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?

The InChIKey is GXAOXMBTYIRDBX-LUNYCLILSA-N. The full InChI is InChI=1S/C22H57O7P23/c1-7-8-9-16(27-20(25)26-6)22(5)11-15(29-43(45(31)32)51(42-30)47(35)36)17-12(2)14(10-13(21(17,3)4)18(23)19(22)24)28-44(50(41)46(33)34)52(48(37)38)49(39)40/h7,13-16,18,23,42H,1,8-11,30-41H2,2-6H3/t13?,14-,15+,16-,18+,22+,43?,44?,50?,51?/m0/s1.

What are the key properties of [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?

[(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate has a molecular weight of 1146.09 g/mol, XLogP of 16.62, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[(2R,4R,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-6-hydroxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate is sourced from PubChem (CID 59904687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).