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

C6H10O8 — CID 141140377

IUPAC1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O7.H2O/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);1H2
InChIKeyJCEBOEJFYIHZEA-UHFFFAOYSA-N
MW210.14 g/mol
LogP-2.22
Rot. Bonds5

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

1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (PubChem CID 141140377) has the molecular formula C6H10O8 and a molecular weight of 210.14 g/mol. Its IUPAC name is 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.

Molecular Properties

Compound Name1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
PubChem CID141140377
Molecular FormulaC6H10O8
Molecular Weight210.14 g/mol
Exact Mass210.04
IUPAC Name1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O7.H2O/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);1H2
InChIKeyJCEBOEJFYIHZEA-UHFFFAOYSA-N
XLogP-2.22
TPSA163.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;1-hydroxypropane-1,2,3-tricarboxylic acid
CID 18977026
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CID 158909467
potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate
CID 122361543
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
2-[2-(carboxymethylamino)-1-hydroxy-2-oxoethyl]butanedioic acid
CID 24800405
2-(1,2-dihydroxypropyl)butanedioic acid
CID 123477214
(1S)-1-aminopropane-1,2,3-tricarboxylic acid
CID 20605454
2,3,4-trihydroxyhexanedioic acid
CID 19899983
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
1-fluoropropane-1,2,3-tricarboxylic acid
CID 71324460
1-phosphanylpropane-1,2,3-tricarboxylic acid
CID 57174577
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The IUPAC name of 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (CID 141140377) is 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.
What is the SMILES notation for 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The canonical SMILES for 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is O.O=C(O)CC(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The InChIKey is JCEBOEJFYIHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.H2O/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);1H2.
What are the key properties of 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate has a molecular weight of 210.14 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is sourced from PubChem (CID 141140377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).