potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate

C34H72KO4P — CID 173113859

IUPACpotassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C34H71O4P.K.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34(38-39(35,36)37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h34H,3-33H2,1-2H3,(H2,35,36,37);;/q;+1;-1
InChIKeyNCVKFTXQIIAWRC-UHFFFAOYSA-N
MW615.02 g/mol
LogP9.71
Rot. Bonds33

About potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate

potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate (PubChem CID 173113859) has the molecular formula C34H72KO4P and a molecular weight of 615.02 g/mol. Its IUPAC name is potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate.

Molecular Properties

Compound Namepotassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
PubChem CID173113859
Molecular FormulaC34H72KO4P
Molecular Weight615.02 g/mol
Exact Mass614.48
IUPAC Namepotassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C34H71O4P.K.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34(38-39(35,36)37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h34H,3-33H2,1-2H3,(H2,35,36,37);;/q;+1;-1
InChIKeyNCVKFTXQIIAWRC-UHFFFAOYSA-N
XLogP9.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.02
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
henicosan-4-yl dihydrogen phosphate
CID 175269897
azane;decan-5-yl dihydrogen phosphate
CID 88685768
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
2-phosphonooxydecylazanium
CID 102322927
copper;octan-3-yl dihydrogen phosphate
CID 174493101
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003
triheptatriacontan-19-yl phosphate
CID 87670645
heptan-4-yl dihydrogen phosphate
CID 18763997
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate?
The IUPAC name of potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate (CID 173113859) is potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate.
What is the SMILES notation for potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate?
The canonical SMILES for potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate is CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)OP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate?
The InChIKey is NCVKFTXQIIAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71O4P.K.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34(38-39(35,36)37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h34H,3-33H2,1-2H3,(H2,35,36,37);;/q;+1;-1.
What are the key properties of potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate?
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate has a molecular weight of 615.02 g/mol, XLogP of 9.71, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate is sourced from PubChem (CID 173113859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).