CID 174430717

H2Ca2O7P2 — CID 174430717

IUPAC—
SMILESO.O=P([O-])([O-])[O-].O=P[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2Ca.H3O4P.HO2P.H2O/c;;1-5(2,3)4;1-3-2;/h;;(H3,1,2,3,4);(H,1,2);1H2/q2*+2;;;/p-4
InChIKeyMNHQRKGQSKKUKV-UHFFFAOYSA-J
MW256.11 g/mol
LogP-4.86
Rot. Bonds

About CID 174430717

CID 174430717 (PubChem CID 174430717) has the molecular formula H2Ca2O7P2 and a molecular weight of 256.11 g/mol.

Molecular Properties

Compound NameCID 174430717
PubChem CID174430717
Molecular FormulaH2Ca2O7P2
Molecular Weight256.11 g/mol
Exact Mass255.85
IUPAC Name—
SMILESO.O=P([O-])([O-])[O-].O=P[O-].[Ca+2].[Ca+2]
InChIInChI=1S/2Ca.H3O4P.HO2P.H2O/c;;1-5(2,3)4;1-3-2;/h;;(H3,1,2,3,4);(H,1,2);1H2/q2*+2;;;/p-4
InChIKeyMNHQRKGQSKKUKV-UHFFFAOYSA-J
XLogP-4.86
TPSA157.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 5-4.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 174430717?
The IUPAC name of CID 174430717 (CID 174430717) is not available.
What is the SMILES notation for CID 174430717?
The canonical SMILES for CID 174430717 is O.O=P([O-])([O-])[O-].O=P[O-].[Ca+2].[Ca+2].
What is the InChIKey of CID 174430717?
The InChIKey is MNHQRKGQSKKUKV-UHFFFAOYSA-J. The full InChI is InChI=1S/2Ca.H3O4P.HO2P.H2O/c;;1-5(2,3)4;1-3-2;/h;;(H3,1,2,3,4);(H,1,2);1H2/q2*+2;;;/p-4.
What are the key properties of CID 174430717?
CID 174430717 has a molecular weight of 256.11 g/mol, XLogP of -4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174430717 is sourced from PubChem (CID 174430717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).