1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C11H14N2O6 — CID 141033816

IUPAC1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=C(O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14N2O6/c1-4-3-13(11(18)12-9(4)17)10-7(16)6(15)8(19-10)5(2)14/h3,6-8,10,14-16H,2H2,1H3,(H,12,17,18)/t6-,7+,8+,10+/m0/s1
InChIKeyQKFKQSORDSVZGP-OKJYPTKPSA-N
MW270.24 g/mol
LogP-1.46
Rot. Bonds2

About 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 141033816) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID141033816
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESC=C(O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14N2O6/c1-4-3-13(11(18)12-9(4)17)10-7(16)6(15)8(19-10)5(2)14/h3,6-8,10,14-16H,2H2,1H3,(H,12,17,18)/t6-,7+,8+,10+/m0/s1
InChIKeyQKFKQSORDSVZGP-OKJYPTKPSA-N
XLogP-1.46
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
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
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708
(5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 57099576
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)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
1-[(2R,3R,4S)-3,4-dihydroxy-5-(2-methylbutyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 89495285
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10781233

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 141033816) is 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is C=C(O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is QKFKQSORDSVZGP-OKJYPTKPSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-4-3-13(11(18)12-9(4)17)10-7(16)6(15)8(19-10)5(2)14/h3,6-8,10,14-16H,2H2,1H3,(H,12,17,18)/t6-,7+,8+,10+/m0/s1.
What are the key properties of 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 270.24 g/mol, XLogP of -1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxyethenyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 141033816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).