3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C9H10N2O7 — CID 101378852

IUPAC3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)n([C@@H]2OC[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O7/c12-4-2-18-7(6(4)14)11-5(13)1-3(8(15)16)10-9(11)17/h1,4,6-7,12,14H,2H2,(H,10,17)(H,15,16)/t4-,6-,7-/m1/s1
InChIKeyVKDBRYQQAYRHLE-QPPQHZFASA-N
MW258.19 g/mol
LogP-2.51
Rot. Bonds2

About 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 101378852) has the molecular formula C9H10N2O7 and a molecular weight of 258.19 g/mol. Its IUPAC name is 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID101378852
Molecular FormulaC9H10N2O7
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Name3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(=O)n([C@@H]2OC[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C9H10N2O7/c12-4-2-18-7(6(4)14)11-5(13)1-3(8(15)16)10-9(11)17/h1,4,6-7,12,14H,2H2,(H,10,17)(H,15,16)/t4-,6-,7-/m1/s1
InChIKeyVKDBRYQQAYRHLE-QPPQHZFASA-N
XLogP-2.51
TPSA141.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 101378852) is 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1cc(=O)n([C@@H]2OC[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is VKDBRYQQAYRHLE-QPPQHZFASA-N. The full InChI is InChI=1S/C9H10N2O7/c12-4-2-18-7(6(4)14)11-5(13)1-3(8(15)16)10-9(11)17/h1,4,6-7,12,14H,2H2,(H,10,17)(H,15,16)/t4-,6-,7-/m1/s1.
What are the key properties of 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 258.19 g/mol, XLogP of -2.51, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 101378852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).