tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))

C21H47N3O14P4Pt3 — CID 161428238

IUPACtris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))
SMILESO=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C7H13N.2H4O7P2.3Pt/c3*1-6-4-2-3-5-7(6)8;2*1-8(2,3)7-9(4,5)6;;;/h3*6-8H,1-5H2;2*(H2,1,2,3)(H2,4,5,6);;;/q3*-2;;;3*+2/t3*6-,7-;;;;;/m111...../s1
InChIKeyXZUSSLWQURIMSY-SXEQNSPYSA-N
MW1274.74 g/mol
LogP5.66
Rot. Bonds4

About tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))

tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)) (PubChem CID 161428238) has the molecular formula C21H47N3O14P4Pt3 and a molecular weight of 1274.74 g/mol. Its IUPAC name is tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)).

Molecular Properties

Compound Nametris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))
PubChem CID161428238
Molecular FormulaC21H47N3O14P4Pt3
Molecular Weight1274.74 g/mol
Exact Mass1274.10
IUPAC Nametris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))
SMILESO=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C7H13N.2H4O7P2.3Pt/c3*1-6-4-2-3-5-7(6)8;2*1-8(2,3)7-9(4,5)6;;;/h3*6-8H,1-5H2;2*(H2,1,2,3)(H2,4,5,6);;;/q3*-2;;;3*+2/t3*6-,7-;;;;;/m111...../s1
InChIKeyXZUSSLWQURIMSY-SXEQNSPYSA-N
XLogP5.66
TPSA319.98 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.74
LogP ≤ 55.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-methanidylcyclopentyl)azanide;platinum(2+)
CID 147503785
[(1S,2S)-2-azanidylcyclohexyl]azanide;methyl(phosphonooxy)phosphinic acid;platinum(2+);sulfane;dihydrate
CID 159084298
(2-methanidylcyclohexyl)azanide;oxalic acid;platinum(2+);propanoic acid
CID 152918298
dichloroplatinum(2+);[(1S,2R)-2-methanidylcyclohexyl]azanide
CID 160751688
2-hydroxyprop-2-enoic acid;(2-methanidylcyclohexyl)azanide;2-methylprop-2-enoic acid;platinum(2+);hydrate
CID 153035795
bromoplatinum;(2-methanidylcyclohexyl)azanide;oxalic acid;nitrite
CID 58115580
(2-azanidylcyclohexyl)azanide;carbonic acid;platinum(2+)
CID 171717451
dialuminum;phosphono dihydrogen phosphate
CID 175801807
phosphono dihydrogen phosphate;tellane
CID 174550958
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;silver
CID 131872547
2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;carbanide;gadolinium(3+);(2-methanidylcyclohexyl)azanide;platinum
CID 58275100

Frequently Asked Questions

What is the IUPAC name of tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))?
The IUPAC name of tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)) (CID 161428238) is tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)).
What is the SMILES notation for tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))?
The canonical SMILES for tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)) is O=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O.[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[CH2-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))?
The InChIKey is XZUSSLWQURIMSY-SXEQNSPYSA-N. The full InChI is InChI=1S/3C7H13N.2H4O7P2.3Pt/c3*1-6-4-2-3-5-7(6)8;2*1-8(2,3)7-9(4,5)6;;;/h3*6-8H,1-5H2;2*(H2,1,2,3)(H2,4,5,6);;;/q3*-2;;;3*+2/t3*6-,7-;;;;;/m111...../s1.
What are the key properties of tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+))?
tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)) has a molecular weight of 1274.74 g/mol, XLogP of 5.66, 4 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris([(1R,2R)-2-methanidylcyclohexyl]azanide);bis(phosphono dihydrogen phosphate);tris(platinum(2+)) is sourced from PubChem (CID 161428238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).