disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate

C19H19Na2O8P — CID 140925772

IUPACdisodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate
SMILESCOc1cc(C2=CCc3c2ccc(OC)c3OP(=O)([O-])[O-])cc(OC)c1OC.[Na+].[Na+]
InChIInChI=1S/C19H21O8P.2Na/c1-23-15-8-7-13-12(5-6-14(13)18(15)27-28(20,21)22)11-9-16(24-2)19(26-4)17(10-11)25-3;;/h5,7-10H,6H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2
InChIKeyQKGHXGLAKKVXCW-UHFFFAOYSA-L
MW452.31 g/mol
LogP-4.08
Rot. Bonds7

About disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate

disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate (PubChem CID 140925772) has the molecular formula C19H19Na2O8P and a molecular weight of 452.31 g/mol. Its IUPAC name is disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate.

Molecular Properties

Compound Namedisodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate
PubChem CID140925772
Molecular FormulaC19H19Na2O8P
Molecular Weight452.31 g/mol
Exact Mass452.06
IUPAC Namedisodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate
SMILESCOc1cc(C2=CCc3c2ccc(OC)c3OP(=O)([O-])[O-])cc(OC)c1OC.[Na+].[Na+]
InChIInChI=1S/C19H21O8P.2Na/c1-23-15-8-7-13-12(5-6-14(13)18(15)27-28(20,21)22)11-9-16(24-2)19(26-4)17(10-11)25-3;;/h5,7-10H,6H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2
InChIKeyQKGHXGLAKKVXCW-UHFFFAOYSA-L
XLogP-4.08
TPSA109.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 5-4.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;[2-methoxy-5-(1,2,3-trimethoxy-7-oxo-8,9-dihydrobenzo[7]annulen-5-yl)phenyl] phosphate
CID 140663643
disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600722
trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
CID 45268839
[6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] phosphate
CID 59576652
tetrasodium;[3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate
CID 44584311
6-(3,4,5-trimethoxyphenyl)-1,2,3,8,9,10-hexahydrocyclohepta[e]indole
CID 134143066
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465723
(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-(3,4,5-trimethoxyphenyl)-7,8-dihydronaphthalen-1-yl]propanamide;hydrochloride
CID 127025904
sodium;hydride;[5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007649
[2-methoxy-5-[4-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzothiophen-2-yl]phenyl] phosphate
CID 59892921
N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide
CID 162100274
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615

Frequently Asked Questions

What is the IUPAC name of disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate?
The IUPAC name of disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate (CID 140925772) is disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate.
What is the SMILES notation for disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate?
The canonical SMILES for disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate is COc1cc(C2=CCc3c2ccc(OC)c3OP(=O)([O-])[O-])cc(OC)c1OC.[Na+].[Na+].
What is the InChIKey of disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate?
The InChIKey is QKGHXGLAKKVXCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H21O8P.2Na/c1-23-15-8-7-13-12(5-6-14(13)18(15)27-28(20,21)22)11-9-16(24-2)19(26-4)17(10-11)25-3;;/h5,7-10H,6H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2.
What are the key properties of disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate?
disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate has a molecular weight of 452.31 g/mol, XLogP of -4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[5-methoxy-1-(3,4,5-trimethoxyphenyl)-3H-inden-4-yl] phosphate is sourced from PubChem (CID 140925772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).