cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))

C18H24N2O14Pt3 — CID 161329805

IUPACcyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))
SMILESNC1CCCCC1N.O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C6H14N2.2C6H8O7.3Pt/c7-5-3-1-2-4-6(5)8;2*7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h5-6H,1-4,7-8H2;2*2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;;;3*+2/p-6
InChIKeyVLGPHCNUWQOIEZ-UHFFFAOYSA-H
MW1077.62 g/mol
LogP-10.59
Rot. Bonds10

About cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))

cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)) (PubChem CID 161329805) has the molecular formula C18H24N2O14Pt3 and a molecular weight of 1077.62 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)).

Molecular Properties

Compound Namecyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))
PubChem CID161329805
Molecular FormulaC18H24N2O14Pt3
Molecular Weight1077.62 g/mol
Exact Mass1077.02
IUPAC Namecyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))
SMILESNC1CCCCC1N.O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C6H14N2.2C6H8O7.3Pt/c7-5-3-1-2-4-6(5)8;2*7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h5-6H,1-4,7-8H2;2*2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;;;3*+2/p-6
InChIKeyVLGPHCNUWQOIEZ-UHFFFAOYSA-H
XLogP-10.59
TPSA333.28 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.62
LogP ≤ 5-10.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))?
The IUPAC name of cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)) (CID 161329805) is cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)).
What is the SMILES notation for cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))?
The canonical SMILES for cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)) is NC1CCCCC1N.O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))?
The InChIKey is VLGPHCNUWQOIEZ-UHFFFAOYSA-H. The full InChI is InChI=1S/C6H14N2.2C6H8O7.3Pt/c7-5-3-1-2-4-6(5)8;2*7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h5-6H,1-4,7-8H2;2*2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;;;3*+2/p-6.
What are the key properties of cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+))?
cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)) has a molecular weight of 1077.62 g/mol, XLogP of -10.59, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;bis(1-hydroxypropane-1,2,3-tricarboxylate);tris(platinum(2+)) is sourced from PubChem (CID 161329805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).