2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid

C10H12O11 — CID 22044544

IUPAC2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O
InChIInChI=1S/C10H12O11/c11-4(1-5(12)13)8(18)21-10(9(19)20,2-6(14)15)3-7(16)17/h4,11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,19,20)
InChIKeyWZRARBVJAZLGTG-UHFFFAOYSA-N
MW308.20 g/mol
LogP-1.86
Rot. Bonds9

About 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid

2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid (PubChem CID 22044544) has the molecular formula C10H12O11 and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid
PubChem CID22044544
Molecular FormulaC10H12O11
Molecular Weight308.20 g/mol
Exact Mass308.04
IUPAC Name2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O
InChIInChI=1S/C10H12O11/c11-4(1-5(12)13)8(18)21-10(9(19)20,2-6(14)15)3-7(16)17/h4,11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,19,20)
InChIKeyWZRARBVJAZLGTG-UHFFFAOYSA-N
XLogP-1.86
TPSA195.73 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid (CID 22044544) is 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid?
The InChIKey is WZRARBVJAZLGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O11/c11-4(1-5(12)13)8(18)21-10(9(19)20,2-6(14)15)3-7(16)17/h4,11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,19,20).
What are the key properties of 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid?
2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid has a molecular weight of 308.20 g/mol, XLogP of -1.86, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxy-2-hydroxypropanoyl)oxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 22044544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).