(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol

C21H25O3P — CID 11725813

IUPAC(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol
SMILESC/C=C/[C@H](O)C([C@@H](O)/C=C/C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25O3P/c1-3-11-19(22)21(20(23)12-4-2)25(24,17-13-7-5-8-14-17)18-15-9-6-10-16-18/h3-16,19-23H,1-2H3/b11-3+,12-4+/t19-,20-/m0/s1
InChIKeyFOIWPMPPQODTDO-XGLGDMSCSA-N
MW356.40 g/mol
LogP3.24
Rot. Bonds7

About (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol

(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol (PubChem CID 11725813) has the molecular formula C21H25O3P and a molecular weight of 356.40 g/mol. Its IUPAC name is (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol.

Molecular Properties

Compound Name(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol
PubChem CID11725813
Molecular FormulaC21H25O3P
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol
SMILESC/C=C/[C@H](O)C([C@@H](O)/C=C/C)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25O3P/c1-3-11-19(22)21(20(23)12-4-2)25(24,17-13-7-5-8-14-17)18-15-9-6-10-16-18/h3-16,19-23H,1-2H3/b11-3+,12-4+/t19-,20-/m0/s1
InChIKeyFOIWPMPPQODTDO-XGLGDMSCSA-N
XLogP3.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol 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

(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
1-phenylpent-3-ene-1,2-diol
CID 72819461
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
methyl (2R)-2-diphenylphosphoryl-2-hydroxyacetate
CID 819526
(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol
CID 101097527
4-diphenylphosphorylpentan-2-one
CID 13202508
(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol
CID 11099511
(R)-(2-chlorophenyl)-diphenylphosphorylmethanol
CID 139074182
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
1-methyl-4-[phenyl(propan-2-yl)phosphoryl]benzene
CID 100916039
(E)-1-phenylpent-3-en-2-ol
CID 15211245

Frequently Asked Questions

What is the IUPAC name of (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol?
The IUPAC name of (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol (CID 11725813) is (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol.
What is the SMILES notation for (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol?
The canonical SMILES for (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol is C/C=C/[C@H](O)C([C@@H](O)/C=C/C)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol?
The InChIKey is FOIWPMPPQODTDO-XGLGDMSCSA-N. The full InChI is InChI=1S/C21H25O3P/c1-3-11-19(22)21(20(23)12-4-2)25(24,17-13-7-5-8-14-17)18-15-9-6-10-16-18/h3-16,19-23H,1-2H3/b11-3+,12-4+/t19-,20-/m0/s1.
What are the key properties of (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol?
(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol has a molecular weight of 356.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol is sourced from PubChem (CID 11725813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).