tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid

C4H14Ca3O6 — CID 174343261

IUPACtricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/C3H6O3.CH2O3.3Ca.6H/c1-2(4)3(5)6;2-1(3)4;;;;;;;;;/h2,4H,1H3,(H,5,6);(H2,2,3,4);;;;;;;;;/q;;3*+2;6*-1
InChIKeyAHJPMDQQSYEYHS-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.79
Rot. Bonds1

About tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid

tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid (PubChem CID 174343261) has the molecular formula C4H14Ca3O6 and a molecular weight of 278.38 g/mol. Its IUPAC name is tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid.

Molecular Properties

Compound Nametricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
PubChem CID174343261
Molecular FormulaC4H14Ca3O6
Molecular Weight278.38 g/mol
Exact Mass277.97
IUPAC Nametricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/C3H6O3.CH2O3.3Ca.6H/c1-2(4)3(5)6;2-1(3)4;;;;;;;;;/h2,4H,1H3,(H,5,6);(H2,2,3,4);;;;;;;;;/q;;3*+2;6*-1
InChIKeyAHJPMDQQSYEYHS-UHFFFAOYSA-N
XLogP-0.79
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
calcium;azane;hydride;2-hydroxypropanoic acid;zirconium
CID 173461557
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520
calcium;hydron;2-hydroxypropanoic acid
CID 173451466
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
hydride;2-hydroxypropanoic acid;rubidium(1+)
CID 173047351
2-hydroxypropanoic acid
CID 87075455
magnesium;sodium;hydride;2-hydroxypropanoic acid
CID 175010169
CID 129137181
CID 129137181

Frequently Asked Questions

What is the IUPAC name of tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid?
The IUPAC name of tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid (CID 174343261) is tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid.
What is the SMILES notation for tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid?
The canonical SMILES for tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid is CC(O)C(=O)O.O=C(O)O.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid?
The InChIKey is AHJPMDQQSYEYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.CH2O3.3Ca.6H/c1-2(4)3(5)6;2-1(3)4;;;;;;;;;/h2,4H,1H3,(H,5,6);(H2,2,3,4);;;;;;;;;/q;;3*+2;6*-1.
What are the key properties of tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid?
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid has a molecular weight of 278.38 g/mol, XLogP of -0.79, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid is sourced from PubChem (CID 174343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).