3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol

C24H14N6O8 — CID 76787499

About 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol

3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol (PubChem CID 76787499) has the molecular formula C24H14N6O8 and a molecular weight of 514.41 g/mol. Its IUPAC name is 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol.

Molecular Properties

• Compound Name: 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol
• PubChem CID: 76787499
• Molecular Formula: C24H14N6O8
• Molecular Weight: 514.41 g/mol
• Exact Mass: 514.09
• IUPAC Name: 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol
• SMILES: OC1C=Cc2nc(co2)-c2nc(co2)-c2nc(co2)C(O)C=Cc2nc(co2)-c2nc(co2)-c2nc1co2
• InChI: InChI=1S/C24H14N6O8/c31-17-1-3-19-25-13(7-33-19)21-30-16(10-37-21)24-28-12(6-36-24)18(32)2-4-20-26-14(8-34-20)22-29-15(9-38-22)23-27-11(17)5-35-23/h1-10,17-18,31-32H
• InChIKey: FNZTXZOZJKCPOD-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 196.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.41
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol?

The IUPAC name of 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol (CID 76787499) is 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol.

What is the SMILES notation for 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol?

The canonical SMILES for 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol is OC1C=Cc2nc(co2)-c2nc(co2)-c2nc(co2)C(O)C=Cc2nc(co2)-c2nc(co2)-c2nc1co2.

What is the InChIKey of 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol?

The InChIKey is FNZTXZOZJKCPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N6O8/c31-17-1-3-19-25-13(7-33-19)21-30-16(10-37-21)24-28-12(6-36-24)18(32)2-4-20-26-14(8-34-20)22-29-15(9-38-22)23-27-11(17)5-35-23/h1-10,17-18,31-32H.

What are the key properties of 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol?

3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol has a molecular weight of 514.41 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7,14,18,22,29-hexaoxa-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.12,5.16,9.113,16.117,20.121,24]hexatriaconta-1(30),2(36),4,6(35),8,11,13(34),15,17(33),19,21(32),23,26,28(31)-tetradecaene-10,25-diol is sourced from PubChem (CID 76787499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).