tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate

C44H56K4O16P4 — CID 102210237

About tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate

tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate (PubChem CID 102210237) has the molecular formula C44H56K4O16P4 and a molecular weight of 1121.20 g/mol. Its IUPAC name is tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate.

Molecular Properties

• Compound Name: tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate
• PubChem CID: 102210237
• Molecular Formula: C44H56K4O16P4
• Molecular Weight: 1121.20 g/mol
• Exact Mass: 1120.11
• IUPAC Name: tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate
• SMILES: CCCOc1c2cc(P(=O)([O-])OC)cc1Cc1cc(P(=O)([O-])OC)cc(c1OCCC)Cc1cc(P(=O)([O-])OC)cc(c1OCCC)Cc1cc(P(=O)([O-])OC)cc(c1OCCC)C2.[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C44H60O16P4.4K/c1-9-13-57-41-29-17-31-23-38(62(47,48)54-6)25-33(42(31)58-14-10-2)19-35-27-40(64(51,52)56-8)28-36(44(35)60-16-12-4)20-34-26-39(63(49,50)55-7)24-32(43(34)59-15-11-3)18-30(41)22-37(21-29)61(45,46)53-5;;;;/h21-28H,9-20H2,1-8H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4
• InChIKey: YNMHNNOAQSDISZ-UHFFFAOYSA-J
• XLogP: -7.17
• TPSA: 234.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.20
LogP ≤ 5	-7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate?

The IUPAC name of tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate (CID 102210237) is tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate.

What is the SMILES notation for tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate?

The canonical SMILES for tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate is CCCOc1c2cc(P(=O)([O-])OC)cc1Cc1cc(P(=O)([O-])OC)cc(c1OCCC)Cc1cc(P(=O)([O-])OC)cc(c1OCCC)Cc1cc(P(=O)([O-])OC)cc(c1OCCC)C2.[K+].[K+].[K+].[K+].

What is the InChIKey of tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate?

The InChIKey is YNMHNNOAQSDISZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C44H60O16P4.4K/c1-9-13-57-41-29-17-31-23-38(62(47,48)54-6)25-33(42(31)58-14-10-2)19-35-27-40(64(51,52)56-8)28-36(44(35)60-16-12-4)20-34-26-39(63(49,50)55-7)24-32(43(34)59-15-11-3)18-30(41)22-37(21-29)61(45,46)53-5;;;;/h21-28H,9-20H2,1-8H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4.

What are the key properties of tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate?

tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate has a molecular weight of 1121.20 g/mol, XLogP of -7.17, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate is sourced from PubChem (CID 102210237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).