(2S,4S,5R,6R)-Methyl 5-acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate

Name: (2S,4S,5R,6R)-Methyl 5-acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate
SKU: PI22900114
Rating: 5 (1 reviews)

Cat. No.: PI22900114

Product Details Other Identifiers Computed Properties

CAS	22900-11-4
Purity	98%
Molecular Formula	C12H21NO9
Molecular Weight	323.30
Molar Refractivity	68.9

Pubchem ID	7173831
InChI Key	BKZQMWNJESHHSA-AGNBLMTLSA-N
MDL Number	MFCD08276447

Hydrogen Bond Donor Count	6.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	7
Topological Polar Surface Area	165.78 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.83
Log Po/w (iLOGP)	-0.21
Log Po/w (XLOGP3)	-3.14
Log Po/w (WLOGP)	-3.78
Log Po/w (MLOGP)	-3.04
Log Po/w (SILICOS-IT)	-2.15
Consensus Log Po/w	-2.47
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-10.5 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	3.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	4.54

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