16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

C32H36NO7P — CID 122374015

About 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane

16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (PubChem CID 122374015) has the molecular formula C32H36NO7P and a molecular weight of 577.61 g/mol. Its IUPAC name is 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

Molecular Properties

• Compound Name: 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
• PubChem CID: 122374015
• Molecular Formula: C32H36NO7P
• Molecular Weight: 577.61 g/mol
• Exact Mass: 577.22
• IUPAC Name: 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
• SMILES: c1ccc2c(c1)ccc1op(N3CCOCCOCCOCCOCCOCC3)oc3ccc4ccccc4c3c12
• InChI: InChI=1S/C32H36NO7P/c1-3-7-27-25(5-1)9-11-29-31(27)32-28-8-4-2-6-26(28)10-12-30(32)40-41(39-29)33-13-15-34-17-19-36-21-23-38-24-22-37-20-18-35-16-14-33/h1-12H,13-24H2
• InChIKey: ZNZWXILVJYUNKA-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 75.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.61
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?

The IUPAC name of 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CID 122374015) is 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.

What is the SMILES notation for 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?

The canonical SMILES for 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is c1ccc2c(c1)ccc1op(N3CCOCCOCCOCCOCCOCC3)oc3ccc4ccccc4c3c12.

What is the InChIKey of 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?

The InChIKey is ZNZWXILVJYUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36NO7P/c1-3-7-27-25(5-1)9-11-29-31(27)32-28-8-4-2-6-26(28)10-12-30(32)40-41(39-29)33-13-15-34-17-19-36-21-23-38-24-22-37-20-18-35-16-14-33/h1-12H,13-24H2.

What are the key properties of 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?

16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane has a molecular weight of 577.61 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is sourced from PubChem (CID 122374015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).