[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum

C5H12I2N2O2Pt — CID 22852080

IUPAC[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum
SMILESI[Pt]I.NC[C@@H]1OCO[C@H]1CN
InChIInChI=1S/C5H12N2O2.2HI.Pt/c6-1-4-5(2-7)9-3-8-4;;;/h4-5H,1-3,6-7H2;2*1H;/q;;;+2/p-2/t4-,5-;;;/m0.../s1
InChIKeyOVEHGZJCZJJPEI-GYZVSSBESA-L
MW581.05 g/mol
LogP0.41
Rot. Bonds2

About [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum

[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum (PubChem CID 22852080) has the molecular formula C5H12I2N2O2Pt and a molecular weight of 581.05 g/mol. Its IUPAC name is [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum.

Molecular Properties

Compound Name[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum
PubChem CID22852080
Molecular FormulaC5H12I2N2O2Pt
Molecular Weight581.05 g/mol
Exact Mass580.86
IUPAC Name[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum
SMILESI[Pt]I.NC[C@@H]1OCO[C@H]1CN
InChIInChI=1S/C5H12N2O2.2HI.Pt/c6-1-4-5(2-7)9-3-8-4;;;/h4-5H,1-3,6-7H2;2*1H;/q;;;+2/p-2/t4-,5-;;;/m0.../s1
InChIKeyOVEHGZJCZJJPEI-GYZVSSBESA-L
XLogP0.41
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.05
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum?
The IUPAC name of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum (CID 22852080) is [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum.
What is the SMILES notation for [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum?
The canonical SMILES for [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum is I[Pt]I.NC[C@@H]1OCO[C@H]1CN.
What is the InChIKey of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum?
The InChIKey is OVEHGZJCZJJPEI-GYZVSSBESA-L. The full InChI is InChI=1S/C5H12N2O2.2HI.Pt/c6-1-4-5(2-7)9-3-8-4;;;/h4-5H,1-3,6-7H2;2*1H;/q;;;+2/p-2/t4-,5-;;;/m0.../s1.
What are the key properties of [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum?
[(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum has a molecular weight of 581.05 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine;diiodoplatinum is sourced from PubChem (CID 22852080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).