calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate

C6H15AlCaO5 — CID 173336900

IUPACcalcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(=O)C(C)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/C6H10O5.Al.Ca.5H/c1-3(7)5(9)11-6(10)4(2)8;;;;;;;/h3-4,7-8H,1-2H3;;;;;;;/q;;+2;;;;2*-1
InChIKeyLQTJNAZYCIIMIO-UHFFFAOYSA-N
MW234.24 g/mol
LogP-2.52
Rot. Bonds2

About calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate

calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate (PubChem CID 173336900) has the molecular formula C6H15AlCaO5 and a molecular weight of 234.24 g/mol. Its IUPAC name is calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate.

Molecular Properties

Compound Namecalcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
PubChem CID173336900
Molecular FormulaC6H15AlCaO5
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Namecalcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(=O)C(C)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/C6H10O5.Al.Ca.5H/c1-3(7)5(9)11-6(10)4(2)8;;;;;;;/h3-4,7-8H,1-2H3;;;;;;;/q;;+2;;;;2*-1
InChIKeyLQTJNAZYCIIMIO-UHFFFAOYSA-N
XLogP-2.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

calcium;carboxy 2-hydroxypropanoate;hydride
CID 174466571
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
(2,2,2-trifluoroacetyl) 2-hydroxypropanoate
CID 174789042
calcium;hydride;phosphanyl 2-hydroxypropanoate
CID 174498775
2,3-dihydroxy-4-(2-hydroxypropanoyloxy)-4-oxobutanoic acid
CID 88640812
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
nitroso 2-hydroxypropanoate
CID 123367826
2-hydroxypropanoyl 2-hydroxy-2,3,3-trimethylbutanoate
CID 91039088
4-(2-hydroxypropanoyloxy)-4-oxobut-2-enoic acid
CID 154353542

Frequently Asked Questions

What is the IUPAC name of calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate?
The IUPAC name of calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate (CID 173336900) is calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate.
What is the SMILES notation for calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate?
The canonical SMILES for calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate is CC(O)C(=O)OC(=O)C(C)O.[AlH3].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate?
The InChIKey is LQTJNAZYCIIMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.Al.Ca.5H/c1-3(7)5(9)11-6(10)4(2)8;;;;;;;/h3-4,7-8H,1-2H3;;;;;;;/q;;+2;;;;2*-1.
What are the key properties of calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate?
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate has a molecular weight of 234.24 g/mol, XLogP of -2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate is sourced from PubChem (CID 173336900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).