calcium;hydride;2-hydroxypropanoic acid;tetrahydrate

C3H16CaO7 — CID 173372729

IUPACcalcium;hydride;2-hydroxypropanoic acid;tetrahydrate
SMILESCC(O)C(=O)O.O.O.O.O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H6O3.Ca.4H2O.2H/c1-2(4)3(5)6;;;;;;;/h2,4H,1H3,(H,5,6);;4*1H2;;/q;+2;;;;;2*-1
InChIKeyFJJZOHKUGYWYLR-UHFFFAOYSA-N
MW204.23 g/mol
LogP-4.00
Rot. Bonds1

About calcium;hydride;2-hydroxypropanoic acid;tetrahydrate

calcium;hydride;2-hydroxypropanoic acid;tetrahydrate (PubChem CID 173372729) has the molecular formula C3H16CaO7 and a molecular weight of 204.23 g/mol. Its IUPAC name is calcium;hydride;2-hydroxypropanoic acid;tetrahydrate.

Molecular Properties

Compound Namecalcium;hydride;2-hydroxypropanoic acid;tetrahydrate
PubChem CID173372729
Molecular FormulaC3H16CaO7
Molecular Weight204.23 g/mol
Exact Mass204.05
IUPAC Namecalcium;hydride;2-hydroxypropanoic acid;tetrahydrate
SMILESCC(O)C(=O)O.O.O.O.O.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H6O3.Ca.4H2O.2H/c1-2(4)3(5)6;;;;;;;/h2,4H,1H3,(H,5,6);;4*1H2;;/q;+2;;;;;2*-1
InChIKeyFJJZOHKUGYWYLR-UHFFFAOYSA-N
XLogP-4.00
TPSA183.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
CID 174343261
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
calcium;azane;hydride;2-hydroxypropanoic acid;zirconium
CID 173461557
hydride;2-hydroxypropanoic acid;rubidium(1+)
CID 173047351
calcium;hydron;2-hydroxypropanoic acid
CID 173451466
Calciumlactatepentahydrate
CID 87103201
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-hydroxypropanoic acid;tetrahydrate?
The IUPAC name of calcium;hydride;2-hydroxypropanoic acid;tetrahydrate (CID 173372729) is calcium;hydride;2-hydroxypropanoic acid;tetrahydrate.
What is the SMILES notation for calcium;hydride;2-hydroxypropanoic acid;tetrahydrate?
The canonical SMILES for calcium;hydride;2-hydroxypropanoic acid;tetrahydrate is CC(O)C(=O)O.O.O.O.O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-hydroxypropanoic acid;tetrahydrate?
The InChIKey is FJJZOHKUGYWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.Ca.4H2O.2H/c1-2(4)3(5)6;;;;;;;/h2,4H,1H3,(H,5,6);;4*1H2;;/q;+2;;;;;2*-1.
What are the key properties of calcium;hydride;2-hydroxypropanoic acid;tetrahydrate?
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate has a molecular weight of 204.23 g/mol, XLogP of -4.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-hydroxypropanoic acid;tetrahydrate is sourced from PubChem (CID 173372729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).