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[ CAS No. 19817-92-6 ] {[proInfo.proName]}

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Chemical Structure| 19817-92-6
Chemical Structure| 19817-92-6
Structure of 19817-92-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 19817-92-6 ]

CAS No. :19817-92-6 MDL No. :
Formula : C9H12N2Na3O15P3 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 ]      Expand+

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 ?2

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

Safety of [ 19817-92-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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