1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C11H16N2O6 — CID 118465861

IUPAC1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(O)[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO
InChIInChI=1S/C11H16N2O6/c1-5(15)8-6(4-14)19-10(9(8)17)13-3-2-7(16)12-11(13)18/h2-3,5-6,8-10,14-15,17H,4H2,1H3,(H,12,16,18)/t5?,6-,8-,9-,10-/m1/s1
InChIKeyGXHCPWAGDQQWGQ-RCRMBGPTSA-N
MW272.26 g/mol
LogP-2.22
Rot. Bonds3

About 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 118465861) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID118465861
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(O)[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO
InChIInChI=1S/C11H16N2O6/c1-5(15)8-6(4-14)19-10(9(8)17)13-3-2-7(16)12-11(13)18/h2-3,5-6,8-10,14-15,17H,4H2,1H3,(H,12,16,18)/t5?,6-,8-,9-,10-/m1/s1
InChIKeyGXHCPWAGDQQWGQ-RCRMBGPTSA-N
XLogP-2.22
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113
CID 70523066
CID 70523066
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
1-[(2R,3R,4S,5S)-3-hydroxy-5-(1-hydroxyethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70848340
ethane;1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145193234
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;dioxovanadium
CID 87329408
1-[(2R,3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 15333745
1-[(3S)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 171699529

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 118465861) is 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is CC(O)[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO.
What is the InChIKey of 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is GXHCPWAGDQQWGQ-RCRMBGPTSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-5(15)8-6(4-14)19-10(9(8)17)13-3-2-7(16)12-11(13)18/h2-3,5-6,8-10,14-15,17H,4H2,1H3,(H,12,16,18)/t5?,6-,8-,9-,10-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4S,5S)-3-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 272.26 g/mol, XLogP of -2.22, 3 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-hydroxy-4-(1-hydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 118465861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).