(R)-1-((3aR,5R,6S,6aR)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol

Name: (R)-1-((3aR,5R,6S,6aR)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
SKU: PI18549401
Rating: 5 (1 reviews)

Cat. No.: PI18549401

Product Details Other Identifiers Computed Properties

CAS	18549-40-1
Purity	95%
Molecular Formula	C9H16O6
Molecular Weight	220.22
Molar Refractivity	47.93

Pubchem ID	87704
InChI Key	BGGCXQKYCBBHAH-OZRXBMAMSA-N
MDL Number	MFCD00063244

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	2
Topological Polar Surface Area	88.38 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	0
Fraction Csp3	1.0
Log Po/w (iLOGP)	1.45
Log Po/w (XLOGP3)	-0.28
Log Po/w (WLOGP)	-1.42
Log Po/w (MLOGP)	-1.34
Log Po/w (SILICOS-IT)	-0.69
Consensus Log Po/w	-0.46
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.84 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	4.33

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