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CAS 7792-96-3 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranosyl fluoride molecular structure lightbox
CAS RN: 7792-96-3

4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranosyl fluoride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7792-96-3
  • Purity/Analytical Methods: >99.0%
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7792-96-3 / (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 7792-96-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7792-96-3
Multi CAS
Yes
Molecular Formula
C12FH21O10
Molecular Weight
344.290000
Exact Mass
344.111875
InChI
InChI=1S/C12H21FO10/c13-11-8(19)7(18)10(4(2-15)21-11)23-12-9(20)6(17)5(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
InChIKey
MPJMJSVSVMGORJ-XLOQQCSPSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
7
Molar refractivity
67.51
TPSA
169.3

LogP / Solubility

WLOGP
-4.42
MLOGP
-3.87
XLogP3
-3.7
Consensus LogP
-4
Log S (ESOL)
1.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.81
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.29
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
7.5

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