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Sodium tartrate

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Sodium tartrate
IUPAC Name: disodium;2,3-dihydroxybutanedioate
Molecular Formula: C4H4Na2O6
SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+]
Inchi: 1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
Inchi Key: HELHAJAZNSDZJO-UHFFFAOYSA-L
Cas No: 868-18-8

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 13355
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 194.05
Mass (g/mol) 193.98
Molar Refractivity 23.32
Net Charge
HBD 2
HBA 6
Rt Bonds 3
Rings
TPSA 120.72
Hetero Atoms
Heavy Atoms 12
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg) 399.3
Vapor Pressure (mmHg@25.00 °C) 0
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP
iLOGP -16.97
XLOGP3 -1.88
WLOGP -4.79
MLOGP -2.18
ESOL Log S 0.34
ESOL Solubility (mg/ml) 424
ESOL Solubility (mol/l) 2.18
ESOL Class: esol_class Highly soluble
Ali Log S -0.14
Ali Solubility (mg/ml) 142
Ali Solubility (mol/l) 0.73
Ali Class Very soluble
Silicos-IT LogSw 2.44
Silicos-IT Solubility (mg/ml) 53900
Silicos-IT Solubility (mol/l) 278
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -8.82
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.451
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.282
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0