Alternatived Products of [ 19817-92-6 ]
Product Details of [ 19817-92-6 ]
CAS No. : 19817-92-6
MDL No. :
Formula :
C9 H12 N2 Na3 O15 P3
Boiling Point :
-
Linear Structure Formula : -
InChI Key : -
M.W :
550.09
Pubchem ID : -
Synonyms :
UTP;NSC 20260;UTP sodium salt;Uridine 5'-triphosphate sodium salt;Uridine 5'-triphosphate (sodium salt);Uridine 5'-triphosphate trisodium salt;UTP trisodium salt
Chemical Name : Uridine-5'-triphosphoric acid trisodium salt
Calculated chemistry of [ 19817-92-6 ]
Physicochemical Properties
Num. heavy atoms :
32
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.56
Num. rotatable bonds :
8
Num. H-bond acceptors :
15.0
Num. H-bond donors :
4.0
Molar Refractivity :
82.4
TPSA :
302.29 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) :
-13.79 cm/s
Lipophilicity
Log Po/w (iLOGP) :
-42.91
Log Po/w (XLOGP3) :
-5.82
Log Po/w (WLOGP) :
-1.51
Log Po/w (MLOGP) :
-5.58
Log Po/w (SILICOS-IT) :
-4.59
Consensus Log Po/w :
-12.08
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
1.0
Egan :
1.0
Muegge :
3.0
Bioavailability Score :
0.11
Water Solubility
Log S (ESOL) :
0.81
Solubility :
3510.0 mg/ml ; 6.39 mol/l
Class :
Highly soluble
Log S (Ali) :
0.14
Solubility :
760.0 mg/ml ; 1.38 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
3.36
Solubility :
1260000.0 mg/ml ; 2300.0 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
4.8
Application In Synthesis of [ 19817-92-6 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 19817-92-6 ]
1
[ 63-37-6 ]
[ 19817-92-6 ]