2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine

Name: 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine
SKU: PI161599468
Rating: 5 (1 reviews)

Cat. No.: PI161599468

Product Details Other Identifiers Computed Properties

CAS	161599-46-8
Synonyms	(2R,3R,4R,5R)-2-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate
Purity	95%
Molecular Formula	C13H16FN3O6
Molecular Weight	329.28
Molar Refractivity	74.12

Pubchem ID	11809635
InChI Key	NWJBWNIUGNXJGO-RPULLILYSA-N
MDL Number	MFCD07369302

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	8.0
Rotatable Bond Count	5
Topological Polar Surface Area	122.74 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.54
Log Po/w (iLOGP)	1.26
Log Po/w (XLOGP3)	-0.67
Log Po/w (WLOGP)	-0.15
Log Po/w (MLOGP)	-0.47
Log Po/w (SILICOS-IT)	-0.38
Consensus Log Po/w	-0.08
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.78 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	4.32

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