1-(a-D-ribofuranosyl)uracil

Introduction

CAS No. :	3258-07-9	MDL No. :	MFCD17430297
Formula :	C9H12N2O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DRTQHJPVMGBUCF-JBBNEOJLSA-N
M.W :	244.20	Pubchem ID :	1521749
Synonyms :	alpha-D-Ribofuranoside,2,4(1H,3H)-pyrimidinedione-1

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	4.0
Molar Refractivity :	54.27
TPSA :	124.78 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) :	-9.2 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.89
Log Po/w (XLOGP3) :	-1.98
Log Po/w (WLOGP) :	-3.18
Log Po/w (MLOGP) :	-2.24
Log Po/w (SILICOS-IT) :	-1.39
Consensus Log Po/w :	-1.58

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.24
Solubility :	142.0 mg/ml ; 0.581 mol/l
Class :	Very soluble
Log S (Ali) :	-0.12
Solubility :	187.0 mg/ml ; 0.764 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.74
Solubility :	1350.0 mg/ml ; 5.55 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.76

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

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine