9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone

C10H9NO9 — CID 141069897

IUPAC9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone
SMILESO=C1CC2(O)CC(=O)OC3(OCCN(O1)C3=O)OC2=O
InChIInChI=1S/C10H9NO9/c12-5-3-9(16)4-6(13)20-11-1-2-17-10(18-5,7(11)14)19-8(9)15/h16H,1-4H2
InChIKeyJUJDLAXZZIDBQG-UHFFFAOYSA-N
MW287.18 g/mol
LogP-2.42
Rot. Bonds

About 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone

9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone (PubChem CID 141069897) has the molecular formula C10H9NO9 and a molecular weight of 287.18 g/mol. Its IUPAC name is 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone.

Molecular Properties

Compound Name9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone
PubChem CID141069897
Molecular FormulaC10H9NO9
Molecular Weight287.18 g/mol
Exact Mass287.03
IUPAC Name9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone
SMILESO=C1CC2(O)CC(=O)OC3(OCCN(O1)C3=O)OC2=O
InChIInChI=1S/C10H9NO9/c12-5-3-9(16)4-6(13)20-11-1-2-17-10(18-5,7(11)14)19-8(9)15/h16H,1-4H2
InChIKeyJUJDLAXZZIDBQG-UHFFFAOYSA-N
XLogP-2.42
TPSA128.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,2,6-trihydroxy-1-methyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141021336
5-hydroxy-1-(trihydroxymethylamino)-2,8,9-trioxabicyclo[3.3.2]decane-3,7,10-trione
CID 139988697
5-hydroxy-2,8,9-trioxa-1-bismabicyclo[3.3.2]decane-3,7,10-trione
CID 140574767
1,9-dihydroxy-4,6,12,14,18,20-hexaoxabicyclo[7.7.5]henicosane-3,7,11,15,17,21-hexone
CID 172689316
2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 154680740
6-hydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-1-carbonitrile
CID 140713591
1-hexadecyl-2,2,6-trihydroxy-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141144955
1-decyl-2,6-dihydroxy-2-octyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141301613
(1Z)-6-hydroxy-3,9,10-trioxabicyclo[4.3.2]undec-1-ene-4,8,11-trione
CID 141318999
1',6,6'-trihydroxy-1-(4-hydroxybutyl)-2,2'-spirobi[3,9,10-trioxabicyclo[4.3.2]undecane]-4,4',8,8',11,11'-hexone
CID 140574800
1-hexadecyl-6-hydroxy-2-nonyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 140629672
6-(dimethylamino)-1-hydroxy-4,11,15-trioxa-7-azatricyclo[7.3.3.05,10]pentadeca-5(10),6,8-triene-3,12,14-trione
CID 154635231

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone?
The IUPAC name of 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone (CID 141069897) is 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone.
What is the SMILES notation for 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone?
The canonical SMILES for 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone is O=C1CC2(O)CC(=O)OC3(OCCN(O1)C3=O)OC2=O.
What is the InChIKey of 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone?
The InChIKey is JUJDLAXZZIDBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO9/c12-5-3-9(16)4-6(13)20-11-1-2-17-10(18-5,7(11)14)19-8(9)15/h16H,1-4H2.
What are the key properties of 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone?
9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone has a molecular weight of 287.18 g/mol, XLogP of -2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,6,12,13-tetraoxa-5-azatricyclo[7.3.2.11,5]pentadecane-7,11,14,15-tetrone is sourced from PubChem (CID 141069897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).