CID 6850737

H3CaO4P — CID 6850737

IUPAC—
SMILESO=P(O)(O)O.[Ca]
InChIInChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyUUVBYOGFRMMMQL-UHFFFAOYSA-N
MW138.07 g/mol
LogP-1.31
Rot. Bonds

About CID 6850737

CID 6850737 (PubChem CID 6850737) has the molecular formula H3CaO4P and a molecular weight of 138.07 g/mol.

Molecular Properties

Compound NameCID 6850737
PubChem CID6850737
Molecular FormulaH3CaO4P
Molecular Weight138.07 g/mol
Exact Mass137.94
IUPAC Name—
SMILESO=P(O)(O)O.[Ca]
InChIInChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKeyUUVBYOGFRMMMQL-UHFFFAOYSA-N
XLogP-1.31
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6850737?
The IUPAC name of CID 6850737 (CID 6850737) is not available.
What is the SMILES notation for CID 6850737?
The canonical SMILES for CID 6850737 is O=P(O)(O)O.[Ca].
What is the InChIKey of CID 6850737?
The InChIKey is UUVBYOGFRMMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4).
What are the key properties of CID 6850737?
CID 6850737 has a molecular weight of 138.07 g/mol, XLogP of -1.31, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6850737 is sourced from PubChem (CID 6850737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).