disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate

C16H12N2Na2O7P2 — CID 16666794

IUPACdisodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate
SMILESO=P([O-])(Oc1c[nH]c2ccccc12)OP(=O)([O-])Oc1c[nH]c2ccccc12.[Na+].[Na+]
InChIInChI=1S/C16H14N2O7P2.2Na/c19-26(20,23-15-9-17-13-7-3-1-5-11(13)15)25-27(21,22)24-16-10-18-14-8-4-2-6-12(14)16;;/h1-10,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyLQFPZGSFGJVMKZ-UHFFFAOYSA-L
MW452.21 g/mol
LogP-2.93
Rot. Bonds6

About disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate

disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate (PubChem CID 16666794) has the molecular formula C16H12N2Na2O7P2 and a molecular weight of 452.21 g/mol. Its IUPAC name is disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate.

Molecular Properties

Compound Namedisodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate
PubChem CID16666794
Molecular FormulaC16H12N2Na2O7P2
Molecular Weight452.21 g/mol
Exact Mass451.99
IUPAC Namedisodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate
SMILESO=P([O-])(Oc1c[nH]c2ccccc12)OP(=O)([O-])Oc1c[nH]c2ccccc12.[Na+].[Na+]
InChIInChI=1S/C16H14N2O7P2.2Na/c19-26(20,23-15-9-17-13-7-3-1-5-11(13)15)25-27(21,22)24-16-10-18-14-8-4-2-6-12(14)16;;/h1-10,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2
InChIKeyLQFPZGSFGJVMKZ-UHFFFAOYSA-L
XLogP-2.93
TPSA139.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.21
LogP ≤ 5-2.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] 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;hydrogen phosphate;1H-indol-3-ol
CID 67341741
CID 174586583
CID 174586583
3-methylperoxy-1H-indole
CID 21122990
sodium 1H-indole-3-carboxylate
CID 23698293
1H-indol-3-yloxymethanol
CID 169101748
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
tetrasodium;(4-phosphonatooxynaphthalen-1-yl) phosphate
CID 56967749
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
1H-indol-3-yloxy hydrogen sulfate
CID 141479579
1H-indol-3-yl 4-methylbenzenesulfonate
CID 15090504
[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
CID 46878464
[(1S,2R,3R,4R,5R,6S)-3-bromo-4-chloro-1,2,3,4,5,6-hexahydroxycyclohexyl] 1H-indol-3-yl hydrogen phosphate
CID 20652950

Frequently Asked Questions

What is the IUPAC name of disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate?
The IUPAC name of disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate (CID 16666794) is disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate.
What is the SMILES notation for disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate?
The canonical SMILES for disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate is O=P([O-])(Oc1c[nH]c2ccccc12)OP(=O)([O-])Oc1c[nH]c2ccccc12.[Na+].[Na+].
What is the InChIKey of disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate?
The InChIKey is LQFPZGSFGJVMKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H14N2O7P2.2Na/c19-26(20,23-15-9-17-13-7-3-1-5-11(13)15)25-27(21,22)24-16-10-18-14-8-4-2-6-12(14)16;;/h1-10,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2.
What are the key properties of disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate?
disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate has a molecular weight of 452.21 g/mol, XLogP of -2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate is sourced from PubChem (CID 16666794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).