trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid

C2H11Na3O7P2 — CID 173043131

IUPACtrisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H8O7P2.3Na.3H/c1-2(3,10(4,5)6)11(7,8)9;;;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;;;/q;3*+1;3*-1
InChIKeyRGSXLQXMJCTNEJ-UHFFFAOYSA-N
MW278.02 g/mol
LogP-9.64
Rot. Bonds2

About trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid

trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid (PubChem CID 173043131) has the molecular formula C2H11Na3O7P2 and a molecular weight of 278.02 g/mol. Its IUPAC name is trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid.

Molecular Properties

Compound Nametrisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
PubChem CID173043131
Molecular FormulaC2H11Na3O7P2
Molecular Weight278.02 g/mol
Exact Mass277.97
IUPAC Nametrisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
SMILESCC(O)(P(=O)(O)O)P(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H8O7P2.3Na.3H/c1-2(3,10(4,5)6)11(7,8)9;;;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;;;/q;3*+1;3*-1
InChIKeyRGSXLQXMJCTNEJ-UHFFFAOYSA-N
XLogP-9.64
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.02
LogP ≤ 5-9.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173143710
dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 88726549
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
CID 71435964
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
[1-hydroxy-1-[hydroxy(propan-2-yloxy)phosphoryl]ethyl]phosphonic acid
CID 54028975
sodium;hydride;methanol;phosphoric acid
CID 174975511
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355
1,1-difluoroethylphosphonic acid
CID 23183684
sodium;hydride;phosphoric acid
CID 173151585
sodium;hydride;phosphoric acid
CID 3084021
trisodium;hydride;phosphoric acid
CID 173046731
pentasodium;hydride;phosphoric acid
CID 173157264

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The IUPAC name of trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid (CID 173043131) is trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid.
What is the SMILES notation for trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The canonical SMILES for trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid is CC(O)(P(=O)(O)O)P(=O)(O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
The InChIKey is RGSXLQXMJCTNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2.3Na.3H/c1-2(3,10(4,5)6)11(7,8)9;;;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid?
trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid has a molecular weight of 278.02 g/mol, XLogP of -9.64, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid is sourced from PubChem (CID 173043131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).