β-D-Ribofuranose 1-Acetate 2,3,5-Tribenzoate

Name: β-D-Ribofuranose 1-Acetate 2,3,5-Tribenzoate
SKU: PI6974329
Rating: 5 (1 reviews)

Cat. No.: PI6974329

Product Details Other Identifiers Computed Properties

CAS	6974-32-9
Synonyms	(2S,3R,4R,5R)-2-Acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl dibenzoate
Purity	98%
Molecular Formula	C28H24O9
Linear Formula	C5H6O(OCOCH3)(OCOC6H5)3
Molecular Weight	504.48
Molar Refractivity	128.42

Pubchem ID	81455
InChI Key	GCZABPLTDYVJMP-CBUXHAPBSA-N
MDL Number	MFCD00005357

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	12
Topological Polar Surface Area	114.43 Å²
Heavy Atom Count	37
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.21
Log Po/w (iLOGP)	3.6
Log Po/w (XLOGP3)	5.65
Log Po/w (WLOGP)	3.58
Log Po/w (MLOGP)	3.34
Log Po/w (SILICOS-IT)	3.42
Consensus Log Po/w	3.92
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.37 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	4.78

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