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[ CAS No. 6106-24-7 ] {[proInfo.proName]}

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Chemical Structure| 6106-24-7
Chemical Structure| 6106-24-7
Structure of 6106-24-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6106-24-7 ]

CAS No. :6106-24-7 MDL No. :MFCD00150035
Formula : C4H8Na2O8 Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 230.08 Pubchem ID :-
Synonyms :
Chemical Name :Disodium L-(+)-Tartrate Dihydrate

Calculated chemistry of [ 6106-24-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 3
Num. H-bond acceptors : 8.0
Num. H-bond donors : 4.0
Molar Refractivity : 29.42
TPSA : 139.18 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : -20.69
Log Po/w (XLOGP3) : -2.83
Log Po/w (WLOGP) : -4.92
Log Po/w (MLOGP) : -3.77
Log Po/w (SILICOS-IT) : -1.88
Consensus Log Po/w : -6.82

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.71
Solubility : 1190.0 mg/ml ; 5.18 mol/l
Class : Highly soluble
Log S (Ali) : 0.46
Solubility : 668.0 mg/ml ; 2.9 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 2.44
Solubility : 64000.0 mg/ml ; 278.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.83

Safety of [ 6106-24-7 ]

Signal Word:Warning Class:
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 UN#:
Hazard Statements:H302-H315-H319 Packing Group:
GHS Pictogram:
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