pentaheptacontacalcium;(2-hydroxypropanoic acid)

C75H150Ca75O75+150 — CID 173046474

IUPACpentaheptacontacalcium;(2-hydroxypropanoic acid)
SMILESCC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
InChIInChI=1S/25C3H6O3.75Ca/c25*1-2(4)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h25*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;75*+2
InChIKeyUGZQBSXCLOEMIS-UHFFFAOYSA-N
MW5257.80 g/mol
LogP-42.26
Rot. Bonds25

About pentaheptacontacalcium;(2-hydroxypropanoic acid)

pentaheptacontacalcium;(2-hydroxypropanoic acid) (PubChem CID 173046474) has the molecular formula C75H150Ca75O75+150 and a molecular weight of 5257.80 g/mol. Its IUPAC name is pentaheptacontacalcium;(2-hydroxypropanoic acid).

Molecular Properties

Compound Namepentaheptacontacalcium;(2-hydroxypropanoic acid)
PubChem CID173046474
Molecular FormulaC75H150Ca75O75+150
Molecular Weight5257.80 g/mol
Exact Mass5247.90
IUPAC Namepentaheptacontacalcium;(2-hydroxypropanoic acid)
SMILESCC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
InChIInChI=1S/25C3H6O3.75Ca/c25*1-2(4)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h25*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;75*+2
InChIKeyUGZQBSXCLOEMIS-UHFFFAOYSA-N
XLogP-42.26
TPSA1438.25 Ų
H-Bond Donors50
H-Bond Acceptors50
Rotatable Bonds25
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005257.80
LogP ≤ 5-42.26
H-Bond Donors ≤ 550
H-Bond Acceptors ≤ 1050

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Related Compounds

calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
calcium;hydron;2-hydroxypropanoic acid
CID 173451466
2-hydroxypropanoic acid
CID 87075455
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
CID 174343261
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914

Frequently Asked Questions

What is the IUPAC name of pentaheptacontacalcium;(2-hydroxypropanoic acid)?
The IUPAC name of pentaheptacontacalcium;(2-hydroxypropanoic acid) (CID 173046474) is pentaheptacontacalcium;(2-hydroxypropanoic acid).
What is the SMILES notation for pentaheptacontacalcium;(2-hydroxypropanoic acid)?
The canonical SMILES for pentaheptacontacalcium;(2-hydroxypropanoic acid) is CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].
What is the InChIKey of pentaheptacontacalcium;(2-hydroxypropanoic acid)?
The InChIKey is UGZQBSXCLOEMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/25C3H6O3.75Ca/c25*1-2(4)3(5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h25*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;75*+2.
What are the key properties of pentaheptacontacalcium;(2-hydroxypropanoic acid)?
pentaheptacontacalcium;(2-hydroxypropanoic acid) has a molecular weight of 5257.80 g/mol, XLogP of -42.26, 25 rotatable bonds, 50 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for pentaheptacontacalcium;(2-hydroxypropanoic acid) is sourced from PubChem (CID 173046474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).