(11E,26E)-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 58443573

IUPAC(11E,26E)-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
SMILESOC1/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)C(O)/C=C/c2nc(co2)-c2nc(co2)-c2nc1co2
InChIInChI=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/b3-1+,4-2+
InChIKeyFNZTXZOZJKCPOD-ZPUQHVIOSA-N
MW514.41 g/mol
LogP4.09
Rot. Bonds

About (11E,26E)-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

(11E,26E)-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 58443573) has the molecular formula C24H14N6O8 and a molecular weight of 514.41 g/mol. Its IUPAC name is (11E,26E)-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(11E,26E)-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 CID58443573
Molecular FormulaC24H14N6O8
Molecular Weight514.41 g/mol
Exact Mass514.09
IUPAC Name(11E,26E)-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
SMILESOC1/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)C(O)/C=C/c2nc(co2)-c2nc(co2)-c2nc1co2
InChIInChI=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/b3-1+,4-2+
InChIKeyFNZTXZOZJKCPOD-ZPUQHVIOSA-N
XLogP4.09
TPSA196.64 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze (11E,26E)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11E,26E)-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 (11E,26E)-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 58443573) is (11E,26E)-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 (11E,26E)-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 (11E,26E)-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 OC1/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)C(O)/C=C/c2nc(co2)-c2nc(co2)-c2nc1co2.
What is the InChIKey of (11E,26E)-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-ZPUQHVIOSA-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/b3-1+,4-2+.
What are the key properties of (11E,26E)-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?
(11E,26E)-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 (11E,26E)-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 58443573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).