calcium;hydride;phosphanyl 2-hydroxypropanoate

C3H9CaO3P — CID 174498775

IUPACcalcium;hydride;phosphanyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OP.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7O3P.Ca.2H/c1-2(4)3(5)6-7;;;/h2,4H,7H2,1H3;;;/q;+2;2*-1
InChIKeyDSOSCKIRDVKTJD-UHFFFAOYSA-N
MW164.15 g/mol
LogP-0.46
Rot. Bonds1

About calcium;hydride;phosphanyl 2-hydroxypropanoate

calcium;hydride;phosphanyl 2-hydroxypropanoate (PubChem CID 174498775) has the molecular formula C3H9CaO3P and a molecular weight of 164.15 g/mol. Its IUPAC name is calcium;hydride;phosphanyl 2-hydroxypropanoate.

Molecular Properties

Compound Namecalcium;hydride;phosphanyl 2-hydroxypropanoate
PubChem CID174498775
Molecular FormulaC3H9CaO3P
Molecular Weight164.15 g/mol
Exact Mass163.99
IUPAC Namecalcium;hydride;phosphanyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OP.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7O3P.Ca.2H/c1-2(4)3(5)6-7;;;/h2,4H,7H2,1H3;;;/q;+2;2*-1
InChIKeyDSOSCKIRDVKTJD-UHFFFAOYSA-N
XLogP-0.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
calcium;carboxy 2-hydroxypropanoate;hydride
CID 174466571
phosphanyl 2-bromopropanoate
CID 22086776
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
nitroso 2-hydroxypropanoate
CID 123367826
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;phosphanyl 2-hydroxypropanoate?
The IUPAC name of calcium;hydride;phosphanyl 2-hydroxypropanoate (CID 174498775) is calcium;hydride;phosphanyl 2-hydroxypropanoate.
What is the SMILES notation for calcium;hydride;phosphanyl 2-hydroxypropanoate?
The canonical SMILES for calcium;hydride;phosphanyl 2-hydroxypropanoate is CC(O)C(=O)OP.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;phosphanyl 2-hydroxypropanoate?
The InChIKey is DSOSCKIRDVKTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P.Ca.2H/c1-2(4)3(5)6-7;;;/h2,4H,7H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;phosphanyl 2-hydroxypropanoate?
calcium;hydride;phosphanyl 2-hydroxypropanoate has a molecular weight of 164.15 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;phosphanyl 2-hydroxypropanoate is sourced from PubChem (CID 174498775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).