2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione

C10H12N2O9 — CID 70273324

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H8O7.C4H4N2O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-3-1-2-5-4(8)6-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H2,5,6,7,8)
InChIKeyKJCVIOHEHRONBO-UHFFFAOYSA-N
MW304.21 g/mol
LogP-2.19
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione

2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione (PubChem CID 70273324) has the molecular formula C10H12N2O9 and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione
PubChem CID70273324
Molecular FormulaC10H12N2O9
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C6H8O7.C4H4N2O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-3-1-2-5-4(8)6-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H2,5,6,7,8)
InChIKeyKJCVIOHEHRONBO-UHFFFAOYSA-N
XLogP-2.19
TPSA197.85 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.21
LogP ≤ 5-2.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
propane;1H-pyrimidine-2,4-dione
CID 19366284
lithium;hydride;1H-pyrimidine-2,4-dione
CID 175507563
acetylene;1H-pyrimidine-2,4-dione
CID 158617730
CID 87090686
CID 87090686
CID 6335619
CID 6335619
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione (CID 70273324) is 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione?
The InChIKey is KJCVIOHEHRONBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H4N2O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-3-1-2-5-4(8)6-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H,(H2,5,6,7,8).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione?
2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione has a molecular weight of 304.21 g/mol, XLogP of -2.19, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70273324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).