calcium;carbonic acid;hydride;phosphane

CH7CaO3P — CID 174337787

IUPACcalcium;carbonic acid;hydride;phosphane
SMILESO=C(O)O.P.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Ca.H3P.2H/c2-1(3)4;;;;/h(H2,2,3,4);;1H3;;/q;+2;;2*-1
InChIKeyVSYAYEKNXZRSFY-UHFFFAOYSA-N
MW138.12 g/mol
LogP0.12
Rot. Bonds

About calcium;carbonic acid;hydride;phosphane

calcium;carbonic acid;hydride;phosphane (PubChem CID 174337787) has the molecular formula CH7CaO3P and a molecular weight of 138.12 g/mol. Its IUPAC name is calcium;carbonic acid;hydride;phosphane.

Molecular Properties

Compound Namecalcium;carbonic acid;hydride;phosphane
PubChem CID174337787
Molecular FormulaCH7CaO3P
Molecular Weight138.12 g/mol
Exact Mass137.98
IUPAC Namecalcium;carbonic acid;hydride;phosphane
SMILESO=C(O)O.P.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2O3.Ca.H3P.2H/c2-1(3)4;;;;/h(H2,2,3,4);;1H3;;/q;+2;;2*-1
InChIKeyVSYAYEKNXZRSFY-UHFFFAOYSA-N
XLogP0.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173419808
dicalcium;carbonic acid;hydride;methane
CID 173330870
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
calcium;carbonic acid;hydride;dihydrochloride
CID 174815432
calcium;disodium;carbonic acid;hydride
CID 174940412
carbonic acid;molybdenum
CID 87095974
calcium;alumane;carbonic acid;hydride;trihydrate
CID 173174353
calcium;magnesium;alumane;carbonic acid;hydride
CID 175056426
sodium;carbonic acid;hydride
CID 173065911
trimagnesium;carbonic acid;hydride
CID 173236021
magnesium;carbonic acid;hydride
CID 173064498
calcium;carbonic acid;difluoride
CID 174333629

Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;hydride;phosphane?
The IUPAC name of calcium;carbonic acid;hydride;phosphane (CID 174337787) is calcium;carbonic acid;hydride;phosphane.
What is the SMILES notation for calcium;carbonic acid;hydride;phosphane?
The canonical SMILES for calcium;carbonic acid;hydride;phosphane is O=C(O)O.P.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;carbonic acid;hydride;phosphane?
The InChIKey is VSYAYEKNXZRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ca.H3P.2H/c2-1(3)4;;;;/h(H2,2,3,4);;1H3;;/q;+2;;2*-1.
What are the key properties of calcium;carbonic acid;hydride;phosphane?
calcium;carbonic acid;hydride;phosphane has a molecular weight of 138.12 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;hydride;phosphane is sourced from PubChem (CID 174337787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).