[4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate

C7H19N2O7PtS- — CID 159515825

IUPAC[4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate
SMILESO.O.O=S([O-])OO.[NH-]CC1(C[NH-])CCOCC1.[Pt+2]
InChIInChI=1S/C7H14N2O.H2O4S.2H2O.Pt/c8-5-7(6-9)1-3-10-4-2-7;1-4-5(2)3;;;/h8-9H,1-6H2;1H,(H,2,3);2*1H2;/q-2;;;;+2/p-1
InChIKeyYYRZYTWJZVMUCZ-UHFFFAOYSA-M
MW470.38 g/mol
LogP-0.49
Rot. Bonds3

About [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate

[4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate (PubChem CID 159515825) has the molecular formula C7H19N2O7PtS- and a molecular weight of 470.38 g/mol. Its IUPAC name is [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate.

Molecular Properties

Compound Name[4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate
PubChem CID159515825
Molecular FormulaC7H19N2O7PtS-
Molecular Weight470.38 g/mol
Exact Mass470.06
IUPAC Name[4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate
SMILESO.O.O=S([O-])OO.[NH-]CC1(C[NH-])CCOCC1.[Pt+2]
InChIInChI=1S/C7H14N2O.H2O4S.2H2O.Pt/c8-5-7(6-9)1-3-10-4-2-7;1-4-5(2)3;;;/h8-9H,1-6H2;1H,(H,2,3);2*1H2;/q-2;;;;+2/p-1
InChIKeyYYRZYTWJZVMUCZ-UHFFFAOYSA-M
XLogP-0.49
TPSA189.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate?
The IUPAC name of [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate (CID 159515825) is [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate.
What is the SMILES notation for [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate?
The canonical SMILES for [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate is O.O.O=S([O-])OO.[NH-]CC1(C[NH-])CCOCC1.[Pt+2].
What is the InChIKey of [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate?
The InChIKey is YYRZYTWJZVMUCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14N2O.H2O4S.2H2O.Pt/c8-5-7(6-9)1-3-10-4-2-7;1-4-5(2)3;;;/h8-9H,1-6H2;1H,(H,2,3);2*1H2;/q-2;;;;+2/p-1.
What are the key properties of [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate?
[4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate has a molecular weight of 470.38 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azanidylmethyl)oxan-4-yl]methylazanide;hydroxy sulfite;platinum(2+);dihydrate is sourced from PubChem (CID 159515825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).