acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))

C25H50O14P2Pd2S4 — CID 173070440

IUPACacetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))
SMILESCC(=O)O.O=S(=O)([O-])CCCCCP(CCCCCS(=O)(=O)[O-])CCCP(CCCCCS(=O)(=O)[O-])CCCCCS(=O)(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/C23H50O12P2S4.C2H4O2.2Pd/c24-38(25,26)20-9-1-5-14-36(15-6-2-10-21-39(27,28)29)18-13-19-37(16-7-3-11-22-40(30,31)32)17-8-4-12-23-41(33,34)35;1-2(3)4;;/h1-23H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);1H3,(H,3,4);;/q;;2*+2/p-4
InChIKeyDTHHAEBNXHBLBN-UHFFFAOYSA-J
MW977.72 g/mol
LogP3.29
Rot. Bonds28

About acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))

acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)) (PubChem CID 173070440) has the molecular formula C25H50O14P2Pd2S4 and a molecular weight of 977.72 g/mol. Its IUPAC name is acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)).

Molecular Properties

Compound Nameacetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))
PubChem CID173070440
Molecular FormulaC25H50O14P2Pd2S4
Molecular Weight977.72 g/mol
Exact Mass975.96
IUPAC Nameacetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))
SMILESCC(=O)O.O=S(=O)([O-])CCCCCP(CCCCCS(=O)(=O)[O-])CCCP(CCCCCS(=O)(=O)[O-])CCCCCS(=O)(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/C23H50O12P2S4.C2H4O2.2Pd/c24-38(25,26)20-9-1-5-14-36(15-6-2-10-21-39(27,28)29)18-13-19-37(16-7-3-11-22-40(30,31)32)17-8-4-12-23-41(33,34)35;1-2(3)4;;/h1-23H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);1H3,(H,3,4);;/q;;2*+2/p-4
InChIKeyDTHHAEBNXHBLBN-UHFFFAOYSA-J
XLogP3.29
TPSA266.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.72
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-[bis(3-sulfonatopropyl)phosphanyl]ethyl-(3-sulfonatopropyl)phosphanyl]propane-1-sulfonate
CID 23284099
acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium
CID 10930414
undecane-1,11-disulfonate
CID 23618255
3-diheptylphosphanylpropyl(diheptyl)phosphane;palladium(2+);diacetate
CID 173070525
disodium;decane-1,10-disulfonate
CID 87519177
bis(4-diphenylphosphanylbutane-1-sulfonate);bis(3-oxobutanoate);bis(ruthenium(2+))
CID 173425683
silver decane-1-sulfonate
CID 18615614
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
silver pentadecane-1-sulfonate
CID 102573896
cesium hexane-1-sulfonate
CID 141317548
4-acetamidobutane-1-sulfonate
CID 21045154

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))?
The IUPAC name of acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)) (CID 173070440) is acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)).
What is the SMILES notation for acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))?
The canonical SMILES for acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)) is CC(=O)O.O=S(=O)([O-])CCCCCP(CCCCCS(=O)(=O)[O-])CCCP(CCCCCS(=O)(=O)[O-])CCCCCS(=O)(=O)[O-].[Pd+2].[Pd+2].
What is the InChIKey of acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))?
The InChIKey is DTHHAEBNXHBLBN-UHFFFAOYSA-J. The full InChI is InChI=1S/C23H50O12P2S4.C2H4O2.2Pd/c24-38(25,26)20-9-1-5-14-36(15-6-2-10-21-39(27,28)29)18-13-19-37(16-7-3-11-22-40(30,31)32)17-8-4-12-23-41(33,34)35;1-2(3)4;;/h1-23H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);1H3,(H,3,4);;/q;;2*+2/p-4.
What are the key properties of acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+))?
acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)) has a molecular weight of 977.72 g/mol, XLogP of 3.29, 28 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[3-[bis(5-sulfonatopentyl)phosphanyl]propyl-(5-sulfonatopentyl)phosphanyl]pentane-1-sulfonate;bis(palladium(2+)) is sourced from PubChem (CID 173070440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).