[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)

C8H14N2O4Pt — CID 175675478

IUPAC[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)
SMILESO=C(O)C(=O)O.[2H]C1([2H])C([2H])([2H])C([2H])([2H])[C@@]([2H])([NH-])[C@]([2H])([NH-])C1([2H])[2H].[Pt+2]
InChIInChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+2/t5-,6-;;/m1../s1/i1D2,2D2,3D2,4D2,5D,6D;;
InChIKeyDRMCATBEKSVAPL-YYKMXZQESA-N
MW407.35 g/mol
LogP1.56
Rot. Bonds

About [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)

[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+) (PubChem CID 175675478) has the molecular formula C8H14N2O4Pt and a molecular weight of 407.35 g/mol. Its IUPAC name is [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+).

Molecular Properties

Compound Name[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)
PubChem CID175675478
Molecular FormulaC8H14N2O4Pt
Molecular Weight407.35 g/mol
Exact Mass407.12
IUPAC Name[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)
SMILESO=C(O)C(=O)O.[2H]C1([2H])C([2H])([2H])C([2H])([2H])[C@@]([2H])([NH-])[C@]([2H])([NH-])C1([2H])[2H].[Pt+2]
InChIInChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+2/t5-,6-;;/m1../s1/i1D2,2D2,3D2,4D2,5D,6D;;
InChIKeyDRMCATBEKSVAPL-YYKMXZQESA-N
XLogP1.56
TPSA122.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 59608580
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CID 171717451
1,3-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)urea
CID 170991357
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;hydrochloride
CID 173369286
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californium;oxalic acid
CID 87427078
oxalic acid;thorium
CID 25199595
europium;oxalic acid
CID 90472147
CID 171360887
CID 171360887
dimethylsilane;oxalic acid
CID 174988732
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)?
The IUPAC name of [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+) (CID 175675478) is [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+).
What is the SMILES notation for [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)?
The canonical SMILES for [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+) is O=C(O)C(=O)O.[2H]C1([2H])C([2H])([2H])C([2H])([2H])[C@@]([2H])([NH-])[C@]([2H])([NH-])C1([2H])[2H].[Pt+2].
What is the InChIKey of [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)?
The InChIKey is DRMCATBEKSVAPL-YYKMXZQESA-N. The full InChI is InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+2/t5-,6-;;/m1../s1/i1D2,2D2,3D2,4D2,5D,6D;;.
What are the key properties of [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+)?
[(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+) has a molecular weight of 407.35 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidyl-1,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl]azanide;oxalic acid;platinum(2+) is sourced from PubChem (CID 175675478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).