trisodium;hydrogen phosphate;methanolate

CH4Na3O5P — CID 174908769

IUPACtrisodium;hydrogen phosphate;methanolate
SMILESC[O-].O=P([O-])([O-])O.[Na+].[Na+].[Na+]
InChIInChI=1S/CH3O.3Na.H3O4P/c1-2;;;;1-5(2,3)4/h1H3;;;;(H3,1,2,3,4)/q-1;3*+1;/p-2
InChIKeyVVPMTCYVPGKYPK-UHFFFAOYSA-L
MW195.98 g/mol
LogP-12.20
Rot. Bonds

About trisodium;hydrogen phosphate;methanolate

trisodium;hydrogen phosphate;methanolate (PubChem CID 174908769) has the molecular formula CH4Na3O5P and a molecular weight of 195.98 g/mol. Its IUPAC name is trisodium;hydrogen phosphate;methanolate.

Molecular Properties

Compound Nametrisodium;hydrogen phosphate;methanolate
PubChem CID174908769
Molecular FormulaCH4Na3O5P
Molecular Weight195.98 g/mol
Exact Mass195.95
IUPAC Nametrisodium;hydrogen phosphate;methanolate
SMILESC[O-].O=P([O-])([O-])O.[Na+].[Na+].[Na+]
InChIInChI=1S/CH3O.3Na.H3O4P/c1-2;;;;1-5(2,3)4/h1H3;;;;(H3,1,2,3,4)/q-1;3*+1;/p-2
InChIKeyVVPMTCYVPGKYPK-UHFFFAOYSA-L
XLogP-12.20
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.98
LogP ≤ 5-12.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
CID 138394176
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
bis(chromium(3+));hydrogen phosphate
CID 19708255
sodium dihydroxy(32P)phosphinate
CID 23694678
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
hafnium;hydrogen phosphate
CID 160536753

Frequently Asked Questions

What is the IUPAC name of trisodium;hydrogen phosphate;methanolate?
The IUPAC name of trisodium;hydrogen phosphate;methanolate (CID 174908769) is trisodium;hydrogen phosphate;methanolate.
What is the SMILES notation for trisodium;hydrogen phosphate;methanolate?
The canonical SMILES for trisodium;hydrogen phosphate;methanolate is C[O-].O=P([O-])([O-])O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydrogen phosphate;methanolate?
The InChIKey is VVPMTCYVPGKYPK-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3O.3Na.H3O4P/c1-2;;;;1-5(2,3)4/h1H3;;;;(H3,1,2,3,4)/q-1;3*+1;/p-2.
What are the key properties of trisodium;hydrogen phosphate;methanolate?
trisodium;hydrogen phosphate;methanolate has a molecular weight of 195.98 g/mol, XLogP of -12.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydrogen phosphate;methanolate is sourced from PubChem (CID 174908769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).