1-((2R,3R,4R,5R)-4-Hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dio

Introduction

CAS No. :	2140-76-3	MDL No. :	MFCD00056054
Formula :	C10H14N2O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	258.23	Pubchem ID :	-
Synonyms :	2'-O-Methyluridine	Chemical Name :	1-((2R,3R,4R,5R)-4-Hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.6
Num. rotatable bonds :	3
Num. H-bond acceptors :	6.0
Num. H-bond donors :	3.0
Molar Refractivity :	59.0
TPSA :	113.78 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.22
Log Po/w (XLOGP3) :	-1.44
Log Po/w (WLOGP) :	-2.52
Log Po/w (MLOGP) :	-1.94
Log Po/w (SILICOS-IT) :	-0.91
Consensus Log Po/w :	-1.12

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.58
Solubility :	67.5 mg/ml ; 0.262 mol/l
Class :	Very soluble
Log S (Ali) :	-0.45
Solubility :	92.4 mg/ml ; 0.358 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.04
Solubility :	286.0 mg/ml ; 1.11 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.94

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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