(2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate

Name: (2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate
SKU: PI93635768
Rating: 5 (1 reviews)

Cat. No.: PI93635768

Product Details Other Identifiers Computed Properties

CAS	93635-76-8
Purity	97%
Molecular Formula	C11H20O6
Molecular Weight	248.27
Molar Refractivity	58.73

Pubchem ID	52987879
InChI Key	BHCHXRCKXIVVCN-XLDPMVHQSA-N
MDL Number	MFCD11112138

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	5
Topological Polar Surface Area	85.22 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.91
Log Po/w (iLOGP)	2.48
Log Po/w (XLOGP3)	-0.31
Log Po/w (WLOGP)	-0.19
Log Po/w (MLOGP)	-0.49
Log Po/w (SILICOS-IT)	0.66
Consensus Log Po/w	0.43
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.03 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	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	4.12

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