(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione

C9H10N2O6 — CID 23253919

IUPAC(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione
SMILESO=c1cc2n(c(=O)[nH]1)[C@@H]1O[C@H](CO2)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H10N2O6/c12-4-1-5-11(9(15)10-4)8-7(14)6(13)3(17-8)2-16-5/h1,3,6-8,13-14H,2H2,(H,10,12,15)/t3-,6-,7-,8-/m1/s1
InChIKeySJHFNVGVSNXHJS-YXZULKJRSA-N
MW242.19 g/mol
LogP-2.45
Rot. Bonds

About (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione

(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione (PubChem CID 23253919) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione.

Molecular Properties

Compound Name(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione
PubChem CID23253919
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione
SMILESO=c1cc2n(c(=O)[nH]1)[C@@H]1O[C@H](CO2)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H10N2O6/c12-4-1-5-11(9(15)10-4)8-7(14)6(13)3(17-8)2-16-5/h1,3,6-8,13-14H,2H2,(H,10,12,15)/t3-,6-,7-,8-/m1/s1
InChIKeySJHFNVGVSNXHJS-YXZULKJRSA-N
XLogP-2.45
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione with MolForge

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Related Compounds

(1R,10R,11R,15R)-13,13-dimethyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 14606217
(2R,4R,5S,6S)-5-hydroxy-4-methyl-3,7-dioxa-1,11-diazatricyclo[6.4.0.02,6]dodec-8-ene-10,12-dione
CID 23253926
[(2R,3R,4R,5R)-5-(6-cyano-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 118205163
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoropyrimidine-2,4-dione
CID 1817
[(2R,3S,4R,5R)-5-(6-dihydroxyphosphinothioyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 16733813
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carbaldehyde
CID 59223240
3-[(2R,3R,4S,5R)-5-[deuterio(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 175696661
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-nitropyrimidine-2,4-dione
CID 146316941
1-[(1R,3R,4R,5R)-4-hydroxy-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 11806364
3-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 158907779
3-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(2-methylpropanoyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carbonitrile
CID 91317798
6-(2-aminopropyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 66721844

Frequently Asked Questions

What is the IUPAC name of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione?
The IUPAC name of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione (CID 23253919) is (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione.
What is the SMILES notation for (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione?
The canonical SMILES for (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione is O=c1cc2n(c(=O)[nH]1)[C@@H]1O[C@H](CO2)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione?
The InChIKey is SJHFNVGVSNXHJS-YXZULKJRSA-N. The full InChI is InChI=1S/C9H10N2O6/c12-4-1-5-11(9(15)10-4)8-7(14)6(13)3(17-8)2-16-5/h1,3,6-8,13-14H,2H2,(H,10,12,15)/t3-,6-,7-,8-/m1/s1.
What are the key properties of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione?
(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione has a molecular weight of 242.19 g/mol, XLogP of -2.45, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,4-diazatricyclo[8.2.1.02,7]tridec-6-ene-3,5-dione is sourced from PubChem (CID 23253919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).