disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

C19H21Na2O9P — CID 58600722

IUPACdisodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SMILESCOc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OC)cc(OC)c1OC.[Na+].[Na+]
InChIInChI=1S/C19H23O9P.2Na/c1-23-14-9-8-13(17(26-4)19(14)28-29(20,21)22)7-6-12-10-15(24-2)18(27-5)16(11-12)25-3;;/h6-11H,1-5H3,(H2,20,21,22);;/q;2*+1/p-2/b7-6-;;
InChIKeyOZZRPEXCGCIUTI-AQTVDGORSA-L
MW470.32 g/mol
LogP-3.88
Rot. Bonds9

About disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate (PubChem CID 58600722) has the molecular formula C19H21Na2O9P and a molecular weight of 470.32 g/mol. Its IUPAC name is disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate.

Molecular Properties

Compound Namedisodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
PubChem CID58600722
Molecular FormulaC19H21Na2O9P
Molecular Weight470.32 g/mol
Exact Mass470.07
IUPAC Namedisodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SMILESCOc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OC)cc(OC)c1OC.[Na+].[Na+]
InChIInChI=1S/C19H23O9P.2Na/c1-23-14-9-8-13(17(26-4)19(14)28-29(20,21)22)7-6-12-10-15(24-2)18(27-5)16(11-12)25-3;;/h6-11H,1-5H3,(H2,20,21,22);;/q;2*+1/p-2/b7-6-;;
InChIKeyOZZRPEXCGCIUTI-AQTVDGORSA-L
XLogP-3.88
TPSA118.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 5-3.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
CID 45268839
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465723
tetrasodium;[3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate
CID 44584311
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
(1E,4E)-1-(2,3,4-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 46231643
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
sodium [2-methoxy-3-phosphonooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 10142508
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 disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The IUPAC name of disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate (CID 58600722) is disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate.
What is the SMILES notation for disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The canonical SMILES for disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate is COc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OC)cc(OC)c1OC.[Na+].[Na+].
What is the InChIKey of disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The InChIKey is OZZRPEXCGCIUTI-AQTVDGORSA-L. The full InChI is InChI=1S/C19H23O9P.2Na/c1-23-14-9-8-13(17(26-4)19(14)28-29(20,21)22)7-6-12-10-15(24-2)18(27-5)16(11-12)25-3;;/h6-11H,1-5H3,(H2,20,21,22);;/q;2*+1/p-2/b7-6-;;.
What are the key properties of disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate has a molecular weight of 470.32 g/mol, XLogP of -3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate is sourced from PubChem (CID 58600722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).