calcium;formic acid;bis(2-hydroxypropanoate)

C7H12CaO8 — CID 159892709

IUPACcalcium;formic acid;bis(2-hydroxypropanoate)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].O=CO.[Ca+2]
InChIInChI=1S/2C3H6O3.CH2O2.Ca/c2*1-2(4)3(5)6;2-1-3;/h2*2,4H,1H3,(H,5,6);1H,(H,2,3);/q;;;+2/p-2
InChIKeyNUYNPTUWNRHWGT-UHFFFAOYSA-L
MW264.24 g/mol
LogP-4.45
Rot. Bonds2

About calcium;formic acid;bis(2-hydroxypropanoate)

calcium;formic acid;bis(2-hydroxypropanoate) (PubChem CID 159892709) has the molecular formula C7H12CaO8 and a molecular weight of 264.24 g/mol. Its IUPAC name is calcium;formic acid;bis(2-hydroxypropanoate).

Molecular Properties

Compound Namecalcium;formic acid;bis(2-hydroxypropanoate)
PubChem CID159892709
Molecular FormulaC7H12CaO8
Molecular Weight264.24 g/mol
Exact Mass264.02
IUPAC Namecalcium;formic acid;bis(2-hydroxypropanoate)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].O=CO.[Ca+2]
InChIInChI=1S/2C3H6O3.CH2O2.Ca/c2*1-2(4)3(5)6;2-1-3;/h2*2,4H,1H3,(H,5,6);1H,(H,2,3);/q;;;+2/p-2
InChIKeyNUYNPTUWNRHWGT-UHFFFAOYSA-L
XLogP-4.45
TPSA158.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-4.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

dicalcium;2-hydroxypropanoate;carbonate
CID 19973760
calcium;2-hydroxypropanoate;trihydrate
CID 23621454
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528

Frequently Asked Questions

What is the IUPAC name of calcium;formic acid;bis(2-hydroxypropanoate)?
The IUPAC name of calcium;formic acid;bis(2-hydroxypropanoate) (CID 159892709) is calcium;formic acid;bis(2-hydroxypropanoate).
What is the SMILES notation for calcium;formic acid;bis(2-hydroxypropanoate)?
The canonical SMILES for calcium;formic acid;bis(2-hydroxypropanoate) is CC(O)C(=O)[O-].CC(O)C(=O)[O-].O=CO.[Ca+2].
What is the InChIKey of calcium;formic acid;bis(2-hydroxypropanoate)?
The InChIKey is NUYNPTUWNRHWGT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O3.CH2O2.Ca/c2*1-2(4)3(5)6;2-1-3;/h2*2,4H,1H3,(H,5,6);1H,(H,2,3);/q;;;+2/p-2.
What are the key properties of calcium;formic acid;bis(2-hydroxypropanoate)?
calcium;formic acid;bis(2-hydroxypropanoate) has a molecular weight of 264.24 g/mol, XLogP of -4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;formic acid;bis(2-hydroxypropanoate) is sourced from PubChem (CID 159892709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).