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CAS 34168-77-9 6-FLUORO-6-DEOXY-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 34168-77-9

6-FLUORO-6-DEOXY-D-GLUCOPYRANOSE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS34168-77-9
  • Purity/Analytical Methods: >99.0%
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34168-77-9 / (3R,4S,5S,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol

Standard CAS: 34168-77-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34168-77-9
Multi CAS
Yes
Molecular Formula
C6FH11O5
Molecular Weight
182.150000
Exact Mass
182.059052
InChI
InChI=1S/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKey
SHFYXYMHVMDNPY-GASJEMHNSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
34.88
TPSA
90.15

LogP / Solubility

WLOGP
-2.24
MLOGP
-1.98
XLogP3
-2.1
Consensus LogP
-2.11
Log S (ESOL)
0.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.9
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)
-5.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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