Uridine-5'-triphosphoric acid trisodium salt

Introduction

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

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

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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