carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid

C14H22O19 — CID 159855867

About carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid

carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid (PubChem CID 159855867) has the molecular formula C14H22O19 and a molecular weight of 494.31 g/mol. Its IUPAC name is carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid.

Molecular Properties

• Compound Name: carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
• PubChem CID: 159855867
• Molecular Formula: C14H22O19
• Molecular Weight: 494.31 g/mol
• Exact Mass: 494.08
• IUPAC Name: carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
• SMILES: CC(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O
• InChI: InChI=1S/C6H8O7.C4H6O6.C3H6O3.CH2O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-1(3(7)8)2(6)4(9)10;1-2(4)3(5)6;2-1(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2,5-6H,(H,7,8)(H,9,10);2,4H,1H3,(H,5,6);(H2,2,3,4)
• InChIKey: NQNDZOMIETWFOE-UHFFFAOYSA-N
• XLogP: -3.70
• TPSA: 362.25 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	494.31
LogP ≤ 5	-3.70
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?

The IUPAC name of carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid (CID 159855867) is carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid.

What is the SMILES notation for carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?

The canonical SMILES for carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid is CC(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O.

What is the InChIKey of carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?

The InChIKey is NQNDZOMIETWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H6O6.C3H6O3.CH2O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-1(3(7)8)2(6)4(9)10;1-2(4)3(5)6;2-1(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2,5-6H,(H,7,8)(H,9,10);2,4H,1H3,(H,5,6);(H2,2,3,4).

What are the key properties of carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid?

carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid has a molecular weight of 494.31 g/mol, XLogP of -3.70, 9 rotatable bonds, 12 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for carbonic acid;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 159855867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).