Disodium uridine-5-monophosphate

Introduction

CAS No. :	3387-36-8	MDL No. :	MFCD00006525
Formula :	C9H11N2Na2O9P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KURVIXMFFSNONZ-WFIJOQBCSA-L
M.W :	368.15	Pubchem ID :	169020
Synonyms :	Disodium uridine-5'-monophosphate	Chemical Name :	Disodium uridine-5-monophosphate

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	4
Num. H-bond acceptors :	9.0
Num. H-bond donors :	3.0
Molar Refractivity :	62.11
TPSA :	186.78 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) :	-11.12 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-31.07
Log Po/w (XLOGP3) :	-3.63
Log Po/w (WLOGP) :	-2.18
Log Po/w (MLOGP) :	-3.01
Log Po/w (SILICOS-IT) :	-2.52
Consensus Log Po/w :	-8.48

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.24
Solubility :	633.0 mg/ml ; 1.72 mol/l
Class :	Highly soluble
Log S (Ali) :	0.29
Solubility :	723.0 mg/ml ; 1.96 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	1.59
Solubility :	14300.0 mg/ml ; 38.9 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.28

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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