(2-aminoethylamino) dihydrogen phosphate;platinum

C2H9N2O4PPt — CID 175317533

IUPAC(2-aminoethylamino) dihydrogen phosphate;platinum
SMILESNCCNOP(=O)(O)O.[Pt]
InChIInChI=1S/C2H9N2O4P.Pt/c3-1-2-4-8-9(5,6)7;/h4H,1-3H2,(H2,5,6,7);
InChIKeyVCKQVUJGXBSKAN-UHFFFAOYSA-N
MW351.16 g/mol
LogP-1.44
Rot. Bonds4

About (2-aminoethylamino) dihydrogen phosphate;platinum

(2-aminoethylamino) dihydrogen phosphate;platinum (PubChem CID 175317533) has the molecular formula C2H9N2O4PPt and a molecular weight of 351.16 g/mol. Its IUPAC name is (2-aminoethylamino) dihydrogen phosphate;platinum.

Molecular Properties

Compound Name(2-aminoethylamino) dihydrogen phosphate;platinum
PubChem CID175317533
Molecular FormulaC2H9N2O4PPt
Molecular Weight351.16 g/mol
Exact Mass350.99
IUPAC Name(2-aminoethylamino) dihydrogen phosphate;platinum
SMILESNCCNOP(=O)(O)O.[Pt]
InChIInChI=1S/C2H9N2O4P.Pt/c3-1-2-4-8-9(5,6)7;/h4H,1-3H2,(H2,5,6,7);
InChIKeyVCKQVUJGXBSKAN-UHFFFAOYSA-N
XLogP-1.44
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminoethylamino) dihydrogen phosphate;platinum?
The IUPAC name of (2-aminoethylamino) dihydrogen phosphate;platinum (CID 175317533) is (2-aminoethylamino) dihydrogen phosphate;platinum.
What is the SMILES notation for (2-aminoethylamino) dihydrogen phosphate;platinum?
The canonical SMILES for (2-aminoethylamino) dihydrogen phosphate;platinum is NCCNOP(=O)(O)O.[Pt].
What is the InChIKey of (2-aminoethylamino) dihydrogen phosphate;platinum?
The InChIKey is VCKQVUJGXBSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N2O4P.Pt/c3-1-2-4-8-9(5,6)7;/h4H,1-3H2,(H2,5,6,7);.
What are the key properties of (2-aminoethylamino) dihydrogen phosphate;platinum?
(2-aminoethylamino) dihydrogen phosphate;platinum has a molecular weight of 351.16 g/mol, XLogP of -1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoethylamino) dihydrogen phosphate;platinum is sourced from PubChem (CID 175317533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).