calcium;hydron;2-hydroxypropanoic acid

C3H7CaO3+3 — CID 173451466

IUPACcalcium;hydron;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.[Ca+2].[H+]
InChIInChI=1S/C3H6O3.Ca/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+2/p+1
InChIKeyYDKLBKYACZTDNM-UHFFFAOYSA-O
MW131.16 g/mol
LogP-0.82
Rot. Bonds1

About calcium;hydron;2-hydroxypropanoic acid

calcium;hydron;2-hydroxypropanoic acid (PubChem CID 173451466) has the molecular formula C3H7CaO3+3 and a molecular weight of 131.16 g/mol. Its IUPAC name is calcium;hydron;2-hydroxypropanoic acid.

Molecular Properties

Compound Namecalcium;hydron;2-hydroxypropanoic acid
PubChem CID173451466
Molecular FormulaC3H7CaO3+3
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Namecalcium;hydron;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.[Ca+2].[H+]
InChIInChI=1S/C3H6O3.Ca/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+2/p+1
InChIKeyYDKLBKYACZTDNM-UHFFFAOYSA-O
XLogP-0.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
2-hydroxypropanoic acid
CID 87075455
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
CID 174343261
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
CID 123133976
CID 123133976
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
2-hydroxypropanoic acid;mercury
CID 88512020

Frequently Asked Questions

What is the IUPAC name of calcium;hydron;2-hydroxypropanoic acid?
The IUPAC name of calcium;hydron;2-hydroxypropanoic acid (CID 173451466) is calcium;hydron;2-hydroxypropanoic acid.
What is the SMILES notation for calcium;hydron;2-hydroxypropanoic acid?
The canonical SMILES for calcium;hydron;2-hydroxypropanoic acid is CC(O)C(=O)O.[Ca+2].[H+].
What is the InChIKey of calcium;hydron;2-hydroxypropanoic acid?
The InChIKey is YDKLBKYACZTDNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O3.Ca/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+2/p+1.
What are the key properties of calcium;hydron;2-hydroxypropanoic acid?
calcium;hydron;2-hydroxypropanoic acid has a molecular weight of 131.16 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydron;2-hydroxypropanoic acid is sourced from PubChem (CID 173451466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).