bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)

C24H54Cl6N8O20Pt3 — CID 159935157

IUPACbis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
SMILESCl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.NCCC(=O)O.NCCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.O=C(O)CCCC(=O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/2C5H8O4.2C4H6O4.2C3H7NO2.6ClH.6H2N.3Pt/c2*6-4(7)2-1-3-5(8)9;2*5-3(6)1-2-4(7)8;2*4-2-1-3(5)6;;;;;;;;;;;;;;;/h2*1-3H2,(H,6,7)(H,8,9);2*1-2H2,(H,5,6)(H,7,8);2*1-2,4H2,(H,5,6);6*1H;6*1H2;;;/q;;;;;;;;;;;;6*-1;3*+4/p-6
InChIKeyLHRHWAMCKXLVTH-UHFFFAOYSA-H
MW1572.68 g/mol
LogP7.80
Rot. Bonds18

About bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)

bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid) (PubChem CID 159935157) has the molecular formula C24H54Cl6N8O20Pt3 and a molecular weight of 1572.68 g/mol. Its IUPAC name is bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid).

Molecular Properties

Compound Namebis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
PubChem CID159935157
Molecular FormulaC24H54Cl6N8O20Pt3
Molecular Weight1572.68 g/mol
Exact Mass1569.05
IUPAC Namebis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)
SMILESCl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.NCCC(=O)O.NCCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.O=C(O)CCCC(=O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/2C5H8O4.2C4H6O4.2C3H7NO2.6ClH.6H2N.3Pt/c2*6-4(7)2-1-3-5(8)9;2*5-3(6)1-2-4(7)8;2*4-2-1-3(5)6;;;;;;;;;;;;;;;/h2*1-3H2,(H,6,7)(H,8,9);2*1-2H2,(H,5,6)(H,7,8);2*1-2,4H2,(H,5,6);6*1H;6*1H2;;;/q;;;;;;;;;;;;6*-1;3*+4/p-6
InChIKeyLHRHWAMCKXLVTH-UHFFFAOYSA-H
XLogP7.80
TPSA626.04 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.68
LogP ≤ 57.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Related Compounds

butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
3-(15N)azanyl(113C)propanoic acid
CID 11366951
erbium;pentanedioic acid
CID 87931794
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
4-aminobutanoic acid;dihydrochloride
CID 87111723
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
CID 173009716
CID 173009716
chloromethane;pentanedioic acid
CID 159659659
hydrazine;pentanedioic acid;dihydrate
CID 172730564
azane;bis(pentanedioic acid)
CID 138524332

Frequently Asked Questions

What is the IUPAC name of bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)?
The IUPAC name of bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid) (CID 159935157) is bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid).
What is the SMILES notation for bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)?
The canonical SMILES for bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid) is Cl[Pt+2]Cl.Cl[Pt+2]Cl.Cl[Pt+2]Cl.NCCC(=O)O.NCCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.O=C(O)CCCC(=O)O.O=C(O)CCCC(=O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)?
The InChIKey is LHRHWAMCKXLVTH-UHFFFAOYSA-H. The full InChI is InChI=1S/2C5H8O4.2C4H6O4.2C3H7NO2.6ClH.6H2N.3Pt/c2*6-4(7)2-1-3-5(8)9;2*5-3(6)1-2-4(7)8;2*4-2-1-3(5)6;;;;;;;;;;;;;;;/h2*1-3H2,(H,6,7)(H,8,9);2*1-2H2,(H,5,6)(H,7,8);2*1-2,4H2,(H,5,6);6*1H;6*1H2;;;/q;;;;;;;;;;;;6*-1;3*+4/p-6.
What are the key properties of bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid)?
bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid) has a molecular weight of 1572.68 g/mol, XLogP of 7.80, 18 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-aminopropanoic acid);azanide;bis(butanedioic acid);tris(dichloroplatinum(2+));bis(pentanedioic acid) is sourced from PubChem (CID 159935157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).