2'-O-Methylcytidine

Introduction

CAS No. :	2140-72-9	MDL No. :	MFCD11519076
Formula :	C10H15N3O5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RFCQJGFZUQFYRF-ZOQUXTDFSA-N
M.W :	257.24	Pubchem ID :	150971
Synonyms :	2'-O-Methylcytidine	Chemical Name :	2'-O-Methylcytidine

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 :	60.58
TPSA :	119.83 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) :	-9.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.12
Log Po/w (XLOGP3) :	-1.59
Log Po/w (WLOGP) :	-2.23
Log Po/w (MLOGP) :	-1.58
Log Po/w (SILICOS-IT) :	-1.77
Consensus Log Po/w :	-1.21

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.48
Solubility :	84.8 mg/ml ; 0.33 mol/l
Class :	Very soluble
Log S (Ali) :	-0.42
Solubility :	98.3 mg/ml ; 0.382 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.31
Solubility :	525.0 mg/ml ; 2.04 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	4.01

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:

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