11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide

C23H13O6P — CID 132559124

About 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide

11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide (PubChem CID 132559124) has the molecular formula C23H13O6P and a molecular weight of 416.33 g/mol. Its IUPAC name is 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide.

Molecular Properties

• Compound Name: 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide
• PubChem CID: 132559124
• Molecular Formula: C23H13O6P
• Molecular Weight: 416.33 g/mol
• Exact Mass: 416.04
• IUPAC Name: 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide
• SMILES: O=P1(O)Oc2ccc3ccc4c5c3c2Cc2c(ccc3ccc6c(c23)C5C(O4)O6)O1
• InChI: InChI=1S/C23H13O6P/c24-30(25)28-14-5-1-10-3-7-16-20-18(10)12(14)9-13-15(29-30)6-2-11-4-8-17-21(19(11)13)22(20)23(26-16)27-17/h1-8,22-23H,9H2,(H,24,25)
• InChIKey: APMUSRPPOUMSQN-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.33
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide?

The IUPAC name of 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide (CID 132559124) is 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide.

What is the SMILES notation for 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide?

The canonical SMILES for 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide is O=P1(O)Oc2ccc3ccc4c5c3c2Cc2c(ccc3ccc6c(c23)C5C(O4)O6)O1.

What is the InChIKey of 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide?

The InChIKey is APMUSRPPOUMSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13O6P/c24-30(25)28-14-5-1-10-3-7-16-20-18(10)12(14)9-13-15(29-30)6-2-11-4-8-17-21(19(11)13)22(20)23(26-16)27-17/h1-8,22-23H,9H2,(H,24,25).

What are the key properties of 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide?

11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide has a molecular weight of 416.33 g/mol, XLogP of 5.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-hydroxy-2,10,12,28-tetraoxa-11λ5-phosphaoctacyclo[17.8.1.03,26.06,25.09,24.013,22.016,21.020,27]octacosa-3(26),4,6(25),7,9(24),13(22),14,16(21),17,19-decaene 11-oxide is sourced from PubChem (CID 132559124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).