(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-hydroxytetrahydro-2H-pyran-3,4,5-triyl triacetate

Introduction

CAS No. :	10343-06-3	MDL No. :	MFCD00061634
Formula :	C14H20O10	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	-
M.W :	348.30	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.71
Num. rotatable bonds :	9
Num. H-bond acceptors :	10.0
Num. H-bond donors :	1.0
Molar Refractivity :	74.68
TPSA :	134.66 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) :	-8.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.19
Log Po/w (XLOGP3) :	0.06
Log Po/w (WLOGP) :	-0.94
Log Po/w (MLOGP) :	-0.67
Log Po/w (SILICOS-IT) :	-0.5
Consensus Log Po/w :	-0.17

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.44
Solubility :	12.6 mg/ml ; 0.036 mol/l
Class :	Very soluble
Log S (Ali) :	-2.44
Solubility :	1.26 mg/ml ; 0.00362 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	0.05
Solubility :	387.0 mg/ml ; 1.11 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.52

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P270-P301+P312-P330	UN#:
Hazard Statements:	H302	Packing Group:
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