trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate

C17H15O15P3Zn3 — CID 45268839

IUPACtrizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
SMILESCOc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc(OP(=O)([O-])[O-])c1OC.[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C17H21O15P3.3Zn/c1-27-12-7-6-11(15(31-34(21,22)23)17(12)32-35(24,25)26)5-4-10-8-13(28-2)16(29-3)14(9-10)30-33(18,19)20;;;/h4-9H,1-3H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26);;;/q;3*+2/p-6/b5-4-;;;
InChIKeyVPOXCQJMZVOPKD-OAWHIZORSA-H
MW748.38 g/mol
LogP-1.50
Rot. Bonds11

About trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate

trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate (PubChem CID 45268839) has the molecular formula C17H15O15P3Zn3 and a molecular weight of 748.38 g/mol. Its IUPAC name is trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate.

Molecular Properties

Compound Nametrizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
PubChem CID45268839
Molecular FormulaC17H15O15P3Zn3
Molecular Weight748.38 g/mol
Exact Mass743.75
IUPAC Nametrizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
SMILESCOc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc(OP(=O)([O-])[O-])c1OC.[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C17H21O15P3.3Zn/c1-27-12-7-6-11(15(31-34(21,22)23)17(12)32-35(24,25)26)5-4-10-8-13(28-2)16(29-3)14(9-10)30-33(18,19)20;;;/h4-9H,1-3H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26);;;/q;3*+2/p-6/b5-4-;;;
InChIKeyVPOXCQJMZVOPKD-OAWHIZORSA-H
XLogP-1.50
TPSA244.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.38
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] 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

disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600722
tetrasodium;[3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate
CID 44584311
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465723
disodium;[6-methoxy-2-(4-methylphenyl)sulfonyloxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465493
tetrasodium;[2-methoxy-4-phosphonatooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600724
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 53465498
sodium [2-methoxy-3-phosphonooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 10142508
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
(1E,4E)-1-(2,3,4-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 46231643
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
CID 59087049
CID 59087049
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249

Frequently Asked Questions

What is the IUPAC name of trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate?
The IUPAC name of trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate (CID 45268839) is trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate.
What is the SMILES notation for trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate?
The canonical SMILES for trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate is COc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc(OP(=O)([O-])[O-])c1OC.[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate?
The InChIKey is VPOXCQJMZVOPKD-OAWHIZORSA-H. The full InChI is InChI=1S/C17H21O15P3.3Zn/c1-27-12-7-6-11(15(31-34(21,22)23)17(12)32-35(24,25)26)5-4-10-8-13(28-2)16(29-3)14(9-10)30-33(18,19)20;;;/h4-9H,1-3H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26);;;/q;3*+2/p-6/b5-4-;;;.
What are the key properties of trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate?
trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate has a molecular weight of 748.38 g/mol, XLogP of -1.50, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate is sourced from PubChem (CID 45268839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).