(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

C19H23NO5 — CID 58750339

IUPAC(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
SMILESO=C1/C=C\CCOC(=O)c2c(O)cc(NCCO)cc2/C=C/CCC1
InChIInChI=1S/C19H23NO5/c21-10-9-20-15-12-14-6-2-1-3-7-16(22)8-4-5-11-25-19(24)18(14)17(23)13-15/h2,4,6,8,12-13,20-21,23H,1,3,5,7,9-11H2/b6-2+,8-4-
InChIKeyPAZZHEDGPZEYQL-XATRDHJGSA-N
MW345.40 g/mol
LogP2.67
Rot. Bonds3

About (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (PubChem CID 58750339) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.

Molecular Properties

Compound Name(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
PubChem CID58750339
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
SMILESO=C1/C=C\CCOC(=O)c2c(O)cc(NCCO)cc2/C=C/CCC1
InChIInChI=1S/C19H23NO5/c21-10-9-20-15-12-14-6-2-1-3-7-16(22)8-4-5-11-25-19(24)18(14)17(23)13-15/h2,4,6,8,12-13,20-21,23H,1,3,5,7,9-11H2/b6-2+,8-4-
InChIKeyPAZZHEDGPZEYQL-XATRDHJGSA-N
XLogP2.67
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione with MolForge

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Related Compounds

N-[2-[[(6Z,12E)-18-hydroxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-16-yl]oxy]ethyl]-N-methylacetamide
CID 58750083
(6Z,10S,12E)-16-chloro-10,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58750053
(4S,5R,6E,9S,10S,12E)-7-fluoro-9,10,18-trihydroxy-16-(2-hydroxyethylamino)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 10238039
(9Z)-16-hydroxy-18-methoxy-13-oxatricyclo[13.4.0.02,4]nonadeca-1(15),9,16,18-tetraene-8,14-dione;dihydrate
CID 158666647
(4S,5R,6E,9S,10S,12E)-7-fluoro-8,9,10,18-tetrahydroxy-16-(2-hydroxyethylamino)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
CID 126636669
cyclohept-2-en-1-one;cyclohex-2-en-1-one;cyclopent-2-en-1-one;2,3-dihydropyran-6-one
CID 159948874
N-[2-[(18-hydroxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),5,12,15,17-pentaen-16-yl)oxy]ethyl]acetamide
CID 91125834
(6Z,10S,12E)-10,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione;hydrate
CID 162175228
cyclohex-2-en-1-one;dihydrochloride
CID 21391808
CID 68518361
CID 68518361
(6E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 152773488
(8E)-1-oxacycloundec-8-ene-2,7-dione
CID 5364708

Frequently Asked Questions

What is the IUPAC name of (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
The IUPAC name of (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (CID 58750339) is (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.
What is the SMILES notation for (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
The canonical SMILES for (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is O=C1/C=C\CCOC(=O)c2c(O)cc(NCCO)cc2/C=C/CCC1.
What is the InChIKey of (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
The InChIKey is PAZZHEDGPZEYQL-XATRDHJGSA-N. The full InChI is InChI=1S/C19H23NO5/c21-10-9-20-15-12-14-6-2-1-3-7-16(22)8-4-5-11-25-19(24)18(14)17(23)13-15/h2,4,6,8,12-13,20-21,23H,1,3,5,7,9-11H2/b6-2+,8-4-.
What are the key properties of (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
(6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione has a molecular weight of 345.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12E)-18-hydroxy-16-(2-hydroxyethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is sourced from PubChem (CID 58750339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).