ID: ALA363100

Max Phase: Unknown

Molecular Formula: Na3O4P

Molecular Weight: 163.94

Molecule Type: Small molecule

Representations

Synonyms (10): Sodium phosphate (tribasic) | Sodium phosphate tribasic | Sodium phosphate, tribasic | Sodium phosphate,tribasic | Tribasic sodium phosphate | Tribasic sodium-phosphate | Trisodium phosphate | E-339(III) | INS-339(III) | NSC-215202
Synonyms from Alternative Forms(10):

Canonical SMILES:  O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]

Standard InChI:  InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3

Standard InChI Key:  RYFMWSXOAZQYPI-UHFFFAOYSA-K

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 163.94

Molecular Weight (Monoisotopic): 163.9227

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Rusconi S, Innocenti A, Vullo D, Mastrolorenzo A, Scozzafava A, Supuran CT..  (2004)  Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet.,  14  (23): [PMID:15501037] [10.1016/j.bmcl.2004.09.064]

2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

Source

Source(2):

• Scientific Literature
• USP Dictionary of USAN and International Drug Names