(1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

C20H58O7P30 — CID 59904688

About (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

(1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (PubChem CID 59904688) has the molecular formula C20H58O7P30 and a molecular weight of 1339.90 g/mol. Its IUPAC name is (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione.

Molecular Properties

• Compound Name: (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
• PubChem CID: 59904688
• Molecular Formula: C20H58O7P30
• Molecular Weight: 1339.90 g/mol
• Exact Mass: 1339.63
• IUPAC Name: (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
• SMILES: CC1=C2[C@H](OP(P(P)P)P(PP)P(P)P)C[C@]3(C)[C@@H](OP(P(P)P)P(P)P)CCC(=O)[C@H]3[C@@H]3OC(=O)O[C@@]3(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
• InChI: InChI=1S/C20H58O7P30/c1-9-11(25-47(55(43)51(35)36)57(53(39)40)54(41)42)8-20-16(23-17(22)24-20)15-10(21)5-6-13(27-45(48(29)30)49(31)32)19(15,4)7-12(14(9)18(20,2)3)26-46(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-43H2,1-4H3/t11-,12+,13-,15-,16-,19+,20+,46?,47?,55?,56?/m0/s1
• InChIKey: RBZJOIZSOSOAOL-VWFIHQLHSA-N
• XLogP: 19.95
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1339.90
LogP ≤ 5	19.95
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,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?

The IUPAC name of (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (CID 59904688) is (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione.

What is the SMILES notation for (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?

The canonical SMILES for (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione is CC1=C2[C@H](OP(P(P)P)P(PP)P(P)P)C[C@]3(C)[C@@H](OP(P(P)P)P(P)P)CCC(=O)[C@H]3[C@@H]3OC(=O)O[C@@]3(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.

What is the InChIKey of (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?

The InChIKey is RBZJOIZSOSOAOL-VWFIHQLHSA-N. The full InChI is InChI=1S/C20H58O7P30/c1-9-11(25-47(55(43)51(35)36)57(53(39)40)54(41)42)8-20-16(23-17(22)24-20)15-10(21)5-6-13(27-45(48(29)30)49(31)32)19(15,4)7-12(14(9)18(20,2)3)26-46(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-43H2,1-4H3/t11-,12+,13-,15-,16-,19+,20+,46?,47?,55?,56?/m0/s1.

What are the key properties of (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?

(1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione has a molecular weight of 1339.90 g/mol, XLogP of 19.95, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5S,6R,10S,11S,13R,16S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione is sourced from PubChem (CID 59904688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).