disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

C18H19Na2O9P — CID 53465723

IUPACdisodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(OP(=O)([O-])[O-])c1O.[Na+].[Na+]
InChIInChI=1S/C18H21O9P.2Na/c1-23-13-8-7-12(17(16(13)19)27-28(20,21)22)6-5-11-9-14(24-2)18(26-4)15(10-11)25-3;;/h5-10,19H,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b6-5+;;
InChIKeyNAKVJFXASSPPIY-TXOOBNKBSA-L
MW456.30 g/mol
LogP-4.19
Rot. Bonds8

About disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate (PubChem CID 53465723) has the molecular formula C18H19Na2O9P and a molecular weight of 456.30 g/mol. Its IUPAC name is disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate.

Molecular Properties

Compound Namedisodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
PubChem CID53465723
Molecular FormulaC18H19Na2O9P
Molecular Weight456.30 g/mol
Exact Mass456.06
IUPAC Namedisodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(OP(=O)([O-])[O-])c1O.[Na+].[Na+]
InChIInChI=1S/C18H21O9P.2Na/c1-23-13-8-7-12(17(16(13)19)27-28(20,21)22)6-5-11-9-14(24-2)18(26-4)15(10-11)25-3;;/h5-10,19H,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b6-5+;;
InChIKeyNAKVJFXASSPPIY-TXOOBNKBSA-L
XLogP-4.19
TPSA129.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 5-4.19
H-Bond Donors ≤ 51
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

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
trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
CID 45268839
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 53465498
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
3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
CID 89269608
sodium [2-methoxy-3-phosphonooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 10142508
CID 59087049
CID 59087049
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159050688

Frequently Asked Questions

What is the IUPAC name of disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The IUPAC name of disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate (CID 53465723) is disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate.
What is the SMILES notation for disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The canonical SMILES for disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate is COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(OP(=O)([O-])[O-])c1O.[Na+].[Na+].
What is the InChIKey of disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The InChIKey is NAKVJFXASSPPIY-TXOOBNKBSA-L. The full InChI is InChI=1S/C18H21O9P.2Na/c1-23-13-8-7-12(17(16(13)19)27-28(20,21)22)6-5-11-9-14(24-2)18(26-4)15(10-11)25-3;;/h5-10,19H,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b6-5+;;.
What are the key properties of disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate has a molecular weight of 456.30 g/mol, XLogP of -4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate is sourced from PubChem (CID 53465723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).