acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium

C27H58O8P2Pd — CID 10930414

IUPACacetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium
SMILESCC(=O)O.CC(=O)O.OCCCCCP(CCCCCO)CCCP(CCCCCO)CCCCCO.[Pd]
InChIInChI=1S/C23H50O4P2.2C2H4O2.Pd/c24-14-5-1-9-18-28(19-10-2-6-15-25)22-13-23-29(20-11-3-7-16-26)21-12-4-8-17-27;2*1-2(3)4;/h24-27H,1-23H2;2*1H3,(H,3,4);
InChIKeyJLECWZYEYQRWKK-UHFFFAOYSA-N
MW679.12 g/mol
LogP5.17
Rot. Bonds24

About acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium

acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium (PubChem CID 10930414) has the molecular formula C27H58O8P2Pd and a molecular weight of 679.12 g/mol. Its IUPAC name is acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium.

Molecular Properties

Compound Nameacetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium
PubChem CID10930414
Molecular FormulaC27H58O8P2Pd
Molecular Weight679.12 g/mol
Exact Mass678.26
IUPAC Nameacetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium
SMILESCC(=O)O.CC(=O)O.OCCCCCP(CCCCCO)CCCP(CCCCCO)CCCCCO.[Pd]
InChIInChI=1S/C23H50O4P2.2C2H4O2.Pd/c24-14-5-1-9-18-28(19-10-2-6-15-25)22-13-23-29(20-11-3-7-16-26)21-12-4-8-17-27;2*1-2(3)4;/h24-27H,1-23H2;2*1H3,(H,3,4);
InChIKeyJLECWZYEYQRWKK-UHFFFAOYSA-N
XLogP5.17
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500679.12
LogP ≤ 55.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium?
The IUPAC name of acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium (CID 10930414) is acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium.
What is the SMILES notation for acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium?
The canonical SMILES for acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium is CC(=O)O.CC(=O)O.OCCCCCP(CCCCCO)CCCP(CCCCCO)CCCCCO.[Pd].
What is the InChIKey of acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium?
The InChIKey is JLECWZYEYQRWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O4P2.2C2H4O2.Pd/c24-14-5-1-9-18-28(19-10-2-6-15-25)22-13-23-29(20-11-3-7-16-26)21-12-4-8-17-27;2*1-2(3)4;/h24-27H,1-23H2;2*1H3,(H,3,4);.
What are the key properties of acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium?
acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium has a molecular weight of 679.12 g/mol, XLogP of 5.17, 24 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[3-[bis(5-hydroxypentyl)phosphanyl]propyl-(5-hydroxypentyl)phosphanyl]pentan-1-ol;palladium is sourced from PubChem (CID 10930414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).