calcium;hexadecanoic acid;hydride;phosphoric acid

C16H37CaO6P — CID 175154653

IUPACcalcium;hexadecanoic acid;hydride;phosphoric acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C16H32O2.Ca.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;1-5(2,3)4;;/h2-15H2,1H3,(H,17,18);;(H3,1,2,3,4);;/q;+2;;2*-1
InChIKeyTUWPBOJWSUUYAZ-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.47
Rot. Bonds14

About calcium;hexadecanoic acid;hydride;phosphoric acid

calcium;hexadecanoic acid;hydride;phosphoric acid (PubChem CID 175154653) has the molecular formula C16H37CaO6P and a molecular weight of 396.52 g/mol. Its IUPAC name is calcium;hexadecanoic acid;hydride;phosphoric acid.

Molecular Properties

Compound Namecalcium;hexadecanoic acid;hydride;phosphoric acid
PubChem CID175154653
Molecular FormulaC16H37CaO6P
Molecular Weight396.52 g/mol
Exact Mass396.20
IUPAC Namecalcium;hexadecanoic acid;hydride;phosphoric acid
SMILESCCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C16H32O2.Ca.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;1-5(2,3)4;;/h2-15H2,1H3,(H,17,18);;(H3,1,2,3,4);;/q;+2;;2*-1
InChIKeyTUWPBOJWSUUYAZ-UHFFFAOYSA-N
XLogP4.47
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hexadecanoic acid;hydride;phosphoric acid
CID 175161401
magnesium;docosanoic acid;hydride;phosphoric acid
CID 174993463
octadecanoic acid;phosphoric acid
CID 160712069
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;nonacosanoic acid
CID 173321722
calcium;dodecanoic acid;hydride
CID 172998116
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;alumane;hydride;bis(octadecanoic acid)
CID 173321944
calcium;barium(2+);hydride;octadecanoic acid
CID 174423684
disodium;hydride;icosanoic acid
CID 175560905
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479

Frequently Asked Questions

What is the IUPAC name of calcium;hexadecanoic acid;hydride;phosphoric acid?
The IUPAC name of calcium;hexadecanoic acid;hydride;phosphoric acid (CID 175154653) is calcium;hexadecanoic acid;hydride;phosphoric acid.
What is the SMILES notation for calcium;hexadecanoic acid;hydride;phosphoric acid?
The canonical SMILES for calcium;hexadecanoic acid;hydride;phosphoric acid is CCCCCCCCCCCCCCCC(=O)O.O=P(O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hexadecanoic acid;hydride;phosphoric acid?
The InChIKey is TUWPBOJWSUUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.Ca.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;1-5(2,3)4;;/h2-15H2,1H3,(H,17,18);;(H3,1,2,3,4);;/q;+2;;2*-1.
What are the key properties of calcium;hexadecanoic acid;hydride;phosphoric acid?
calcium;hexadecanoic acid;hydride;phosphoric acid has a molecular weight of 396.52 g/mol, XLogP of 4.47, 14 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hexadecanoic acid;hydride;phosphoric acid is sourced from PubChem (CID 175154653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).