(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid

C10H10N2O6 — CID 70367258

IUPAC(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid
SMILESCc1cn([C@H]2C=C(O)[C@@H](C(=O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N2O6/c1-4-3-12(10(17)11-8(4)14)6-2-5(13)7(18-6)9(15)16/h2-3,6-7,13H,1H3,(H,15,16)(H,11,14,17)/t6-,7+/m1/s1
InChIKeyAOZUDQCQIFOMLZ-RQJHMYQMSA-N
MW254.20 g/mol
LogP-0.73
Rot. Bonds2

About (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid

(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid (PubChem CID 70367258) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid
PubChem CID70367258
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid
SMILESCc1cn([C@H]2C=C(O)[C@@H](C(=O)O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N2O6/c1-4-3-12(10(17)11-8(4)14)6-2-5(13)7(18-6)9(15)16/h2-3,6-7,13H,1H3,(H,15,16)(H,11,14,17)/t6-,7+/m1/s1
InChIKeyAOZUDQCQIFOMLZ-RQJHMYQMSA-N
XLogP-0.73
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid with MolForge

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Related Compounds

(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
CID 163842595
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
[(2S,3R,6R)-2-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 14058078
2-[(2R,3R,5R)-2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetic acid
CID 58785086
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 727961
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(2R,5S)-5-(hydroxy(113C)methyl)-(2,3,4,5-13C4)2,5-dihydrofuran-2-yl]-5-methyl(613C,1,3-15N2)pyrimidine-2,4-dione
CID 11042603
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157
1-[(2R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59278856
1-[4-azido-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 20846027

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid?
The IUPAC name of (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid (CID 70367258) is (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid?
The canonical SMILES for (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid is Cc1cn([C@H]2C=C(O)[C@@H](C(=O)O)O2)c(=O)[nH]c1=O.
What is the InChIKey of (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid?
The InChIKey is AOZUDQCQIFOMLZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H10N2O6/c1-4-3-12(10(17)11-8(4)14)6-2-5(13)7(18-6)9(15)16/h2-3,6-7,13H,1H3,(H,15,16)(H,11,14,17)/t6-,7+/m1/s1.
What are the key properties of (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid?
(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid has a molecular weight of 254.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid is sourced from PubChem (CID 70367258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).