1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione

C11H14N2O6 — CID 10825887

IUPAC1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H]3[C@@H](O)[C@@H]2OC[C@@H]3O)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O6/c1-4-2-13(11(17)12-9(4)16)10-8-6(15)7(19-10)5(14)3-18-8/h2,5-8,10,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7+,8-,10+/m0/s1
InChIKeyLVHYGOYFOMVGGS-IWYOCHMKSA-N
MW270.24 g/mol
LogP-2.14
Rot. Bonds1

About 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione

1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 10825887) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
PubChem CID10825887
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@H]2O[C@H]3[C@@H](O)[C@@H]2OC[C@@H]3O)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O6/c1-4-2-13(11(17)12-9(4)16)10-8-6(15)7(19-10)5(14)3-18-8/h2,5-8,10,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7+,8-,10+/m0/s1
InChIKeyLVHYGOYFOMVGGS-IWYOCHMKSA-N
XLogP-2.14
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(3R,3aR,5S,6R,6aR)-3,6-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10869335
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(1S,3R)-6-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-5-methylpyrimidine-2,4-dione
CID 139505571
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
(5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 57099576
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione (CID 10825887) is 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@H]3[C@@H](O)[C@@H]2OC[C@@H]3O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is LVHYGOYFOMVGGS-IWYOCHMKSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-4-2-13(11(17)12-9(4)16)10-8-6(15)7(19-10)5(14)3-18-8/h2,5-8,10,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7+,8-,10+/m0/s1.
What are the key properties of 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione?
1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 270.24 g/mol, XLogP of -2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S,5R,7R,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10825887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).