(1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one

C17H15NO4 — CID 15605737

IUPAC(1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one
SMILESO=C1C=C[C@]23OCN4CC[C@@]25c2c(ccc(O)c2O[C@@H]15)C[C@@H]43
InChIInChI=1S/C17H15NO4/c19-10-2-1-9-7-12-17-4-3-11(20)15-16(17,13(9)14(10)22-15)5-6-18(12)8-21-17/h1-4,12,15,19H,5-8H2/t12-,15+,16+,17-/m1/s1
InChIKeyUZMOHLIXRDALSG-ISWURRPUSA-N
MW297.31 g/mol
LogP0.89
Rot. Bonds

About (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one

(1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one (PubChem CID 15605737) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one.

Molecular Properties

Compound Name(1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one
PubChem CID15605737
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one
SMILESO=C1C=C[C@]23OCN4CC[C@@]25c2c(ccc(O)c2O[C@@H]15)C[C@@H]43
InChIInChI=1S/C17H15NO4/c19-10-2-1-9-7-12-17-4-3-11(20)15-16(17,13(9)14(10)22-15)5-6-18(12)8-21-17/h1-4,12,15,19H,5-8H2/t12-,15+,16+,17-/m1/s1
InChIKeyUZMOHLIXRDALSG-ISWURRPUSA-N
XLogP0.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one with MolForge

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Related Compounds

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(1S,5R,13S,19R)-8-methyl-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-7,9,11-trien-4-one
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CID 157412009

Frequently Asked Questions

What is the IUPAC name of (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one?
The IUPAC name of (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one (CID 15605737) is (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one.
What is the SMILES notation for (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one?
The canonical SMILES for (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one is O=C1C=C[C@]23OCN4CC[C@@]25c2c(ccc(O)c2O[C@@H]15)C[C@@H]43.
What is the InChIKey of (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one?
The InChIKey is UZMOHLIXRDALSG-ISWURRPUSA-N. The full InChI is InChI=1S/C17H15NO4/c19-10-2-1-9-7-12-17-4-3-11(20)15-16(17,13(9)14(10)22-15)5-6-18(12)8-21-17/h1-4,12,15,19H,5-8H2/t12-,15+,16+,17-/m1/s1.
What are the key properties of (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one?
(1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one has a molecular weight of 297.31 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,13S,19R)-8-hydroxy-6,18-dioxa-16-azahexacyclo[9.7.2.01,13.05,13.07,12.016,19]icosa-2,7,9,11-tetraen-4-one is sourced from PubChem (CID 15605737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).