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

C8H12O13 — CID 87148662

IUPACcarbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H8O7.2CH2O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*2-1(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*(H2,2,3,4)
InChIKeyUQNNBRAOPSYZCM-UHFFFAOYSA-N
MW316.17 g/mol
LogP-0.80
Rot. Bonds5

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

carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 87148662) has the molecular formula C8H12O13 and a molecular weight of 316.17 g/mol. Its IUPAC name is carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namecarbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID87148662
Molecular FormulaC8H12O13
Molecular Weight316.17 g/mol
Exact Mass316.03
IUPAC Namecarbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H8O7.2CH2O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*2-1(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*(H2,2,3,4)
InChIKeyUQNNBRAOPSYZCM-UHFFFAOYSA-N
XLogP-0.80
TPSA247.19 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

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Related Compounds

trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
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
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
CID 87090686
CID 87090686

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 87148662) is carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is UQNNBRAOPSYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.2CH2O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*2-1(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*(H2,2,3,4).
What are the key properties of carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid?
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 316.17 g/mol, XLogP of -0.80, 5 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 87148662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).