1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid

C9H12O10 — CID 67725899

IUPAC1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1OCCO1
InChIInChI=1S/C6H8O7.C3H4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-3-5-1-2-6-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2
InChIKeyZQMJFAPLPFUEAL-UHFFFAOYSA-N
MW280.18 g/mol
LogP-1.10
Rot. Bonds5

About 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid

1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 67725899) has the molecular formula C9H12O10 and a molecular weight of 280.18 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID67725899
Molecular FormulaC9H12O10
Molecular Weight280.18 g/mol
Exact Mass280.04
IUPAC Name1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1OCCO1
InChIInChI=1S/C6H8O7.C3H4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-3-5-1-2-6-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2
InChIKeyZQMJFAPLPFUEAL-UHFFFAOYSA-N
XLogP-1.10
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 67725899) is 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is ZQMJFAPLPFUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-3-5-1-2-6-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2.
What are the key properties of 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid?
1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 280.18 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 67725899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).