Calciumlactatepentahydrate

C3H8CaO4 — CID 87103201

IUPAC—
SMILESCC(O)C(=O)O.O.[Ca]
InChIInChI=1S/C3H6O3.Ca.H2O/c1-2(4)3(5)6;;/h2,4H,1H3,(H,5,6);;1H2
InChIKeyJCFHGKRSYPTRSS-UHFFFAOYSA-N
MW148.17 g/mol
LogP-1.75
Rot. Bonds1

About Calciumlactatepentahydrate

Calciumlactatepentahydrate (PubChem CID 87103201) has the molecular formula C3H8CaO4 and a molecular weight of 148.17 g/mol.

Molecular Properties

Compound NameCalciumlactatepentahydrate
PubChem CID87103201
Molecular FormulaC3H8CaO4
Molecular Weight148.17 g/mol
Exact Mass148.00
IUPAC Name—
SMILESCC(O)C(=O)O.O.[Ca]
InChIInChI=1S/C3H6O3.Ca.H2O/c1-2(4)3(5)6;;/h2,4H,1H3,(H,5,6);;1H2
InChIKeyJCFHGKRSYPTRSS-UHFFFAOYSA-N
XLogP-1.75
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 123133976
CID 123133976
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651
2-hydroxypropanoic acid
CID 87075455
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020

Frequently Asked Questions

What is the IUPAC name of Calciumlactatepentahydrate?
The IUPAC name of Calciumlactatepentahydrate (CID 87103201) is not available.
What is the SMILES notation for Calciumlactatepentahydrate?
The canonical SMILES for Calciumlactatepentahydrate is CC(O)C(=O)O.O.[Ca].
What is the InChIKey of Calciumlactatepentahydrate?
The InChIKey is JCFHGKRSYPTRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.Ca.H2O/c1-2(4)3(5)6;;/h2,4H,1H3,(H,5,6);;1H2.
What are the key properties of Calciumlactatepentahydrate?
Calciumlactatepentahydrate has a molecular weight of 148.17 g/mol, XLogP of -1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Calciumlactatepentahydrate is sourced from PubChem (CID 87103201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).