bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium

C36H72O7P3+ — CID 175297614

IUPACbis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)(O)O[P+](=O)OP(=O)(O)CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71O7P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(38,39)42-44(37)43-46(40,41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H-,38,39,40,41)/p+1/b19-17-,20-18-
InChIKeyZYNNUUBAYKSWFO-CLFAGFIQSA-O
MW709.89 g/mol
LogP14.12
Rot. Bonds36

About bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium

bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium (PubChem CID 175297614) has the molecular formula C36H72O7P3+ and a molecular weight of 709.89 g/mol. Its IUPAC name is bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium
PubChem CID175297614
Molecular FormulaC36H72O7P3+
Molecular Weight709.89 g/mol
Exact Mass709.45
IUPAC Namebis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)(O)O[P+](=O)OP(=O)(O)CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71O7P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(38,39)42-44(37)43-46(40,41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H-,38,39,40,41)/p+1/b19-17-,20-18-
InChIKeyZYNNUUBAYKSWFO-CLFAGFIQSA-O
XLogP14.12
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds36
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium 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

iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
(E)-octadec-9-en-1-ol;phosphoric acid
CID 18003832
(Z)-hexadec-9-enoic acid;phosphoric acid
CID 155410980
bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
CID 139947168
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(Z)-N,N-diethyloctadec-9-enamide;phosphoric acid
CID 172720663
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
di(octadec-9-enoyl)phosphinic acid
CID 173143631
decyl(methoxy)phosphinic acid
CID 54568982
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
CID 10057255

Frequently Asked Questions

What is the IUPAC name of bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium?
The IUPAC name of bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium (CID 175297614) is bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium.
What is the SMILES notation for bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium?
The canonical SMILES for bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium is CCCCCCCC/C=C\CCCCCCCCP(=O)(O)O[P+](=O)OP(=O)(O)CCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium?
The InChIKey is ZYNNUUBAYKSWFO-CLFAGFIQSA-O. The full InChI is InChI=1S/C36H71O7P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45(38,39)42-44(37)43-46(40,41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H-,38,39,40,41)/p+1/b19-17-,20-18-.
What are the key properties of bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium?
bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium has a molecular weight of 709.89 g/mol, XLogP of 14.12, 36 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[hydroxy-[(Z)-octadec-9-enyl]phosphoryl]oxy]-oxophosphanium is sourced from PubChem (CID 175297614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).