(1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione

C22H53O7P23 — CID 59904747

About (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione

(1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione (PubChem CID 59904747) has the molecular formula C22H53O7P23 and a molecular weight of 1142.06 g/mol. Its IUPAC name is (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione.

Molecular Properties

• Compound Name: (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione
• PubChem CID: 59904747
• Molecular Formula: C22H53O7P23
• Molecular Weight: 1142.06 g/mol
• Exact Mass: 1141.78
• IUPAC Name: (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione
• SMILES: C=CCC[C@@H]1OC(=O)[C@H]2[C@@H]3OC(=O)O[C@]34C[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[C@]12C)C4(C)C
• InChI: InChI=1S/C22H53O7P23/c1-6-7-8-14-21(5)9-13(29-44(45(32)33)50(42-30)46(34)35)15-11(2)12(28-43(31)51(47(36)37)52(48(38)39)49(40)41)10-22(20(15,3)4)17(26-19(24)27-22)16(21)18(23)25-14/h6,12-14,16-17,42H,1,7-10,30-41H2,2-5H3/t12-,13+,14-,16+,17-,21+,22+,43?,44?,50?,51?/m0/s1
• InChIKey: AWRXVEUCHOEURA-YCOHZCQASA-N
• XLogP: 16.74
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1142.06
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	0
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,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

The IUPAC name of (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione (CID 59904747) is (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione.

What is the SMILES notation for (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

The canonical SMILES for (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione is C=CCC[C@@H]1OC(=O)[C@H]2[C@@H]3OC(=O)O[C@]34C[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[C@]12C)C4(C)C.

What is the InChIKey of (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

The InChIKey is AWRXVEUCHOEURA-YCOHZCQASA-N. The full InChI is InChI=1S/C22H53O7P23/c1-6-7-8-14-21(5)9-13(29-44(45(32)33)50(42-30)46(34)35)15-11(2)12(28-43(31)51(47(36)37)52(48(38)39)49(40)41)10-22(20(15,3)4)17(26-19(24)27-22)16(21)18(23)25-14/h6,12-14,16-17,42H,1,7-10,30-41H2,2-5H3/t12-,13+,14-,16+,17-,21+,22+,43?,44?,50?,51?/m0/s1.

What are the key properties of (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione?

(1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione has a molecular weight of 1142.06 g/mol, XLogP of 16.74, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5S,6R,9S,10S,12R,15S)-15-[[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanyl]oxy-12-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-9-but-3-enyl-10,14,17,17-tetramethyl-2,4,8-trioxatetracyclo[11.3.1.01,5.06,10]heptadec-13-ene-3,7-dione is sourced from PubChem (CID 59904747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).