acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))

C29H26O14P2Pd2S4 — CID 173242051

IUPACacetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))
SMILESCC(=O)O.O=S(=O)([O-])c1ccccc1P(CCCP(c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/C27H26O12P2S4.C2H4O2.2Pd/c28-42(29,30)24-14-5-1-10-20(24)40(21-11-2-6-15-25(21)43(31,32)33)18-9-19-41(22-12-3-7-16-26(22)44(34,35)36)23-13-4-8-17-27(23)45(37,38)39;1-2(3)4;;/h1-8,10-17H,9,18-19H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);1H3,(H,3,4);;/q;;2*+2/p-4
InChIKeyZDUMPZPSTWKUKX-UHFFFAOYSA-J
MW1001.57 g/mol
LogP1.34
Rot. Bonds12

About acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))

acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)) (PubChem CID 173242051) has the molecular formula C29H26O14P2Pd2S4 and a molecular weight of 1001.57 g/mol. Its IUPAC name is acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)).

Molecular Properties

Compound Nameacetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))
PubChem CID173242051
Molecular FormulaC29H26O14P2Pd2S4
Molecular Weight1001.57 g/mol
Exact Mass999.78
IUPAC Nameacetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))
SMILESCC(=O)O.O=S(=O)([O-])c1ccccc1P(CCCP(c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-].[Pd+2].[Pd+2]
InChIInChI=1S/C27H26O12P2S4.C2H4O2.2Pd/c28-42(29,30)24-14-5-1-10-20(24)40(21-11-2-6-15-25(21)43(31,32)33)18-9-19-41(22-12-3-7-16-26(22)44(34,35)36)23-13-4-8-17-27(23)45(37,38)39;1-2(3)4;;/h1-8,10-17H,9,18-19H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);1H3,(H,3,4);;/q;;2*+2/p-4
InChIKeyZDUMPZPSTWKUKX-UHFFFAOYSA-J
XLogP1.34
TPSA266.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.57
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)) with MolForge

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Related Compounds

sodium;2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate;carbanide;palladium(2+);bis(propan-2-one);chloride
CID 139114968
2-[2-bis(2-sulfophenyl)phosphanylethyl-(2-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 19368965
lithium 2-dichlorophosphanylbenzenesulfonate
CID 167508079
lithium;carbanide;2-[[4-(hydroxymethyl)phenyl]-(2-methoxyphenyl)phosphanyl]benzenesulfonate;palladium(2+);propan-2-one;chloride
CID 139147558
bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
CID 162373258
bis(4-diphenylphosphanylbutane-1-sulfonate);bis(3-oxobutanoate);bis(ruthenium(2+))
CID 173425683
potassium 2-(diphenylphosphanylmethyl)benzenesulfonate
CID 59163443
2-methylbenzenesulfonate;tetramethylphosphanium
CID 22725746
benzenesulfonate;ethyl(trimethyl)azanium
CID 21449652
sodium 2-prop-1-en-2-ylbenzenesulfonate
CID 23706375
tetrasodium;bis(dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium);tetrakis(2-diphenylphosphanylbenzenesulfonate)
CID 11982329
tricalcium;bis(naphthalene-1-sulfonate);dicarbonate
CID 173383364

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))?
The IUPAC name of acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)) (CID 173242051) is acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)).
What is the SMILES notation for acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))?
The canonical SMILES for acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)) is CC(=O)O.O=S(=O)([O-])c1ccccc1P(CCCP(c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-].[Pd+2].[Pd+2].
What is the InChIKey of acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))?
The InChIKey is ZDUMPZPSTWKUKX-UHFFFAOYSA-J. The full InChI is InChI=1S/C27H26O12P2S4.C2H4O2.2Pd/c28-42(29,30)24-14-5-1-10-20(24)40(21-11-2-6-15-25(21)43(31,32)33)18-9-19-41(22-12-3-7-16-26(22)44(34,35)36)23-13-4-8-17-27(23)45(37,38)39;1-2(3)4;;/h1-8,10-17H,9,18-19H2,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);1H3,(H,3,4);;/q;;2*+2/p-4.
What are the key properties of acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+))?
acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)) has a molecular weight of 1001.57 g/mol, XLogP of 1.34, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[3-bis(2-sulfonatophenyl)phosphanylpropyl-(2-sulfonatophenyl)phosphanyl]benzenesulfonate;bis(palladium(2+)) is sourced from PubChem (CID 173242051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).