disodium;hydrogen phosphate;1H-indol-3-ol

C8H8NNa2O5P — CID 67341741

IUPACdisodium;hydrogen phosphate;1H-indol-3-ol
SMILESO=P([O-])([O-])O.Oc1c[nH]c2ccccc12.[Na+].[Na+]
InChIInChI=1S/C8H7NO.2Na.H3O4P/c10-8-5-9-7-4-2-1-3-6(7)8;;;1-5(2,3)4/h1-5,9-10H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyVBYLPUAWJTXTKF-UHFFFAOYSA-L
MW275.11 g/mol
LogP-6.31
Rot. Bonds

About disodium;hydrogen phosphate;1H-indol-3-ol

disodium;hydrogen phosphate;1H-indol-3-ol (PubChem CID 67341741) has the molecular formula C8H8NNa2O5P and a molecular weight of 275.11 g/mol. Its IUPAC name is disodium;hydrogen phosphate;1H-indol-3-ol.

Molecular Properties

Compound Namedisodium;hydrogen phosphate;1H-indol-3-ol
PubChem CID67341741
Molecular FormulaC8H8NNa2O5P
Molecular Weight275.11 g/mol
Exact Mass274.99
IUPAC Namedisodium;hydrogen phosphate;1H-indol-3-ol
SMILESO=P([O-])([O-])O.Oc1c[nH]c2ccccc12.[Na+].[Na+]
InChIInChI=1S/C8H7NO.2Na.H3O4P/c10-8-5-9-7-4-2-1-3-6(7)8;;;1-5(2,3)4/h1-5,9-10H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyVBYLPUAWJTXTKF-UHFFFAOYSA-L
XLogP-6.31
TPSA119.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-6.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;1H-indol-3-ol;sulfuric acid
CID 173008142
1H-indol-3-ol;[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
CID 68719975
disodium;1H-indol-3-yl [1H-indol-3-yloxy(oxido)phosphoryl] phosphate
CID 16666794
sodium 1H-indole-3-carboxylate
CID 23698293
3-(1H-indol-3-yl)propyl dihydrogen phosphate
CID 3713
[2-(1H-indol-3-yl)-2-oxoethyl]phosphonic acid
CID 102129257
[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] phosphate
CID 46878464
CID 87710053
CID 87710053
3-[hydroxy(1H-indol-3-ylmethyl)phosphoryl]-2-methylpropanoic acid
CID 101354661
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054
1H-indol-3-ol;octadecanoic acid
CID 22916327

Frequently Asked Questions

What is the IUPAC name of disodium;hydrogen phosphate;1H-indol-3-ol?
The IUPAC name of disodium;hydrogen phosphate;1H-indol-3-ol (CID 67341741) is disodium;hydrogen phosphate;1H-indol-3-ol.
What is the SMILES notation for disodium;hydrogen phosphate;1H-indol-3-ol?
The canonical SMILES for disodium;hydrogen phosphate;1H-indol-3-ol is O=P([O-])([O-])O.Oc1c[nH]c2ccccc12.[Na+].[Na+].
What is the InChIKey of disodium;hydrogen phosphate;1H-indol-3-ol?
The InChIKey is VBYLPUAWJTXTKF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H7NO.2Na.H3O4P/c10-8-5-9-7-4-2-1-3-6(7)8;;;1-5(2,3)4/h1-5,9-10H;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;hydrogen phosphate;1H-indol-3-ol?
disodium;hydrogen phosphate;1H-indol-3-ol has a molecular weight of 275.11 g/mol, XLogP of -6.31, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen phosphate;1H-indol-3-ol is sourced from PubChem (CID 67341741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).