Uridine 5'-(trihydrogen diphosphate) sodium salt

Introduction

CAS No. :	1457-11-0	MDL No. :	N/A
Formula :	C9H13N2NaO12P2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	426.14	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	6
Num. H-bond acceptors :	12.0
Num. H-bond donors :	5.0
Molar Refractivity :	74.56
TPSA :	240.29 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) :	-12.25 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-13.15
Log Po/w (XLOGP3) :	-4.72
Log Po/w (WLOGP) :	-2.5
Log Po/w (MLOGP) :	-4.12
Log Po/w (SILICOS-IT) :	-3.58
Consensus Log Po/w :	-5.61

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.11

Water Solubility

Log S (ESOL) :	0.72
Solubility :	2220.0 mg/ml ; 5.21 mol/l
Class :	Highly soluble
Log S (Ali) :	0.3
Solubility :	852.0 mg/ml ; 2.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	2.46
Solubility :	124000.0 mg/ml ; 292.0 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.54

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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