sodium;chromium(3+);phosphonato phosphate

CrNaO7P2 — CID 159071425

IUPACsodium;chromium(3+);phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Cr+3].[Na+]
InChIInChI=1S/Cr.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+3;+1;/p-4
InChIKeyBDEIGBZHXPHRHB-UHFFFAOYSA-J
MW248.93 g/mol
LogP-6.34
Rot. Bonds2

About sodium;chromium(3+);phosphonato phosphate

sodium;chromium(3+);phosphonato phosphate (PubChem CID 159071425) has the molecular formula CrNaO7P2 and a molecular weight of 248.93 g/mol. Its IUPAC name is sodium;chromium(3+);phosphonato phosphate.

Molecular Properties

Compound Namesodium;chromium(3+);phosphonato phosphate
PubChem CID159071425
Molecular FormulaCrNaO7P2
Molecular Weight248.93 g/mol
Exact Mass248.84
IUPAC Namesodium;chromium(3+);phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Cr+3].[Na+]
InChIInChI=1S/Cr.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+3;+1;/p-4
InChIKeyBDEIGBZHXPHRHB-UHFFFAOYSA-J
XLogP-6.34
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.93
LogP ≤ 5-6.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

lithium;chromium(3+);phosphonato phosphate
CID 160746898
phosphonato phosphate
CID 644102
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560

Frequently Asked Questions

What is the IUPAC name of sodium;chromium(3+);phosphonato phosphate?
The IUPAC name of sodium;chromium(3+);phosphonato phosphate (CID 159071425) is sodium;chromium(3+);phosphonato phosphate.
What is the SMILES notation for sodium;chromium(3+);phosphonato phosphate?
The canonical SMILES for sodium;chromium(3+);phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[Cr+3].[Na+].
What is the InChIKey of sodium;chromium(3+);phosphonato phosphate?
The InChIKey is BDEIGBZHXPHRHB-UHFFFAOYSA-J. The full InChI is InChI=1S/Cr.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+3;+1;/p-4.
What are the key properties of sodium;chromium(3+);phosphonato phosphate?
sodium;chromium(3+);phosphonato phosphate has a molecular weight of 248.93 g/mol, XLogP of -6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chromium(3+);phosphonato phosphate is sourced from PubChem (CID 159071425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).