2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol

C9H16O10 — CID 21470592

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2
InChIKeyYDQUROLTIDVHRK-UHFFFAOYSA-N
MW284.22 g/mol
LogP-2.92
Rot. Bonds7

About 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol

2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol (PubChem CID 21470592) has the molecular formula C9H16O10 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
PubChem CID21470592
Molecular FormulaC9H16O10
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2
InChIKeyYDQUROLTIDVHRK-UHFFFAOYSA-N
XLogP-2.92
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.22
LogP ≤ 5-2.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol (CID 21470592) is 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol is O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The InChIKey is YDQUROLTIDVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H8O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol has a molecular weight of 284.22 g/mol, XLogP of -2.92, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol is sourced from PubChem (CID 21470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).