dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)

C50H56Cl2N2O12P2Pd — CID 11434748

IUPACdichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)
SMILESCl[Pd]Cl.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/2C25H28NO6P.2ClH.Pd/c2*27-16-21(28)22(29)23(30)24(31)25(32)26-15-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;;/h2*1-14,21-24,27-31H,15-16H2,(H,26,32);2*1H;/q;;;;+2/p-2/t2*21-,22-,23+,24-;;;/m11.../s1
InChIKeyBWIUZSMOFCCNBO-MZUWEXGRSA-L
MW1116.27 g/mol
LogP0.37
Rot. Bonds20

About dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)

dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) (PubChem CID 11434748) has the molecular formula C50H56Cl2N2O12P2Pd and a molecular weight of 1116.27 g/mol. Its IUPAC name is dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide).

Molecular Properties

Compound Namedichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)
PubChem CID11434748
Molecular FormulaC50H56Cl2N2O12P2Pd
Molecular Weight1116.27 g/mol
Exact Mass1114.17
IUPAC Namedichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)
SMILESCl[Pd]Cl.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/2C25H28NO6P.2ClH.Pd/c2*27-16-21(28)22(29)23(30)24(31)25(32)26-15-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;;/h2*1-14,21-24,27-31H,15-16H2,(H,26,32);2*1H;/q;;;;+2/p-2/t2*21-,22-,23+,24-;;;/m11.../s1
InChIKeyBWIUZSMOFCCNBO-MZUWEXGRSA-L
XLogP0.37
TPSA260.50 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001116.27
LogP ≤ 50.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide
CID 101019303
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
sodium [(2R,3R,4S,5R)-6-(benzylamino)-2,3,4,5-tetrahydroxy-6-oxohexyl] sulfate
CID 172548249
(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
CID 7921985
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
(2S,3R,4S,5R)-6-[(4-ethenylphenyl)methylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 101030208
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3R,4S,5R)-2-(benzylamino)-3,4,5,6-tetrahydroxyhexanoic acid
CID 144649374
(2R,3R,4S,5R,6R)-N-(2-aminophenyl)-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513203

Frequently Asked Questions

What is the IUPAC name of dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?
The IUPAC name of dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) (CID 11434748) is dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide).
What is the SMILES notation for dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?
The canonical SMILES for dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) is Cl[Pd]Cl.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(NCc1ccc(P(c2ccccc2)c2ccccc2)cc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?
The InChIKey is BWIUZSMOFCCNBO-MZUWEXGRSA-L. The full InChI is InChI=1S/2C25H28NO6P.2ClH.Pd/c2*27-16-21(28)22(29)23(30)24(31)25(32)26-15-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;;/h2*1-14,21-24,27-31H,15-16H2,(H,26,32);2*1H;/q;;;;+2/p-2/t2*21-,22-,23+,24-;;;/m11.../s1.
What are the key properties of dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)?
dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) has a molecular weight of 1116.27 g/mol, XLogP of 0.37, 20 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide) is sourced from PubChem (CID 11434748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).