Guanosine 5'-phosphate disodium salt hydrate

Introduction

CAS No. :	146894-16-8	MDL No. :	MFCD00151238
Formula :	C10H14N5Na2O9P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MEKWJTZTMVQYSU-CYCLDIHTSA-L
M.W :	425.20	Pubchem ID :	135445734
Synonyms :

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.5
Num. rotatable bonds :	4
Num. H-bond acceptors :	11.0
Num. H-bond donors :	5.0
Molar Refractivity :	76.39
TPSA :	230.74 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) :	-11.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-31.79
Log Po/w (XLOGP3) :	-4.01
Log Po/w (WLOGP) :	-2.07
Log Po/w (MLOGP) :	-4.23
Log Po/w (SILICOS-IT) :	-3.36
Consensus Log Po/w :	-9.09

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.07
Solubility :	497.0 mg/ml ; 1.17 mol/l
Class :	Highly soluble
Log S (Ali) :	-0.24
Solubility :	247.0 mg/ml ; 0.581 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	1.37
Solubility :	9920.0 mg/ml ; 23.3 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.41

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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