CID 11588622

C6H18FeN2O8P2 — CID 11588622

IUPAC—
SMILESCOP(OC)OC.COP(OC)OC.[Fe].[N]=O.[N]=O
InChIInChI=1S/2C3H9O3P.Fe.2NO/c2*1-4-7(5-2)6-3;;2*1-2/h2*1-3H3;;;
InChIKeyMSOKYRSZCGEIDR-UHFFFAOYSA-N
MW364.01 g/mol
LogP1.41
Rot. Bonds6

About CID 11588622

CID 11588622 (PubChem CID 11588622) has the molecular formula C6H18FeN2O8P2 and a molecular weight of 364.01 g/mol.

Molecular Properties

Compound NameCID 11588622
PubChem CID11588622
Molecular FormulaC6H18FeN2O8P2
Molecular Weight364.01 g/mol
Exact Mass363.99
IUPAC Name—
SMILESCOP(OC)OC.COP(OC)OC.[Fe].[N]=O.[N]=O
InChIInChI=1S/2C3H9O3P.Fe.2NO/c2*1-4-7(5-2)6-3;;2*1-2/h2*1-3H3;;;
InChIKeyMSOKYRSZCGEIDR-UHFFFAOYSA-N
XLogP1.41
TPSA134.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11588622?
The IUPAC name of CID 11588622 (CID 11588622) is not available.
What is the SMILES notation for CID 11588622?
The canonical SMILES for CID 11588622 is COP(OC)OC.COP(OC)OC.[Fe].[N]=O.[N]=O.
What is the InChIKey of CID 11588622?
The InChIKey is MSOKYRSZCGEIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9O3P.Fe.2NO/c2*1-4-7(5-2)6-3;;2*1-2/h2*1-3H3;;;.
What are the key properties of CID 11588622?
CID 11588622 has a molecular weight of 364.01 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11588622 is sourced from PubChem (CID 11588622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).