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CAS 174511-17-2 2,3,4,6-Tetra-O-acetyl-D-mannopyranosyl Fluoride molecular structure lightbox
CAS RN: 174511-17-2

2,3,4,6-Tetra-O-acetyl-D-mannopyranosyl Fluoride

  • Product code: SSC-076555
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 174511-17-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

174511-17-2 / (3,4,5-triacetyloxy-6-fluorooxan-2-yl)methyl acetate

Standard CAS: 174511-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174511-17-2
Multi CAS
No
Molecular Formula
C14H19FO9
Molecular Weight
350.290000
Exact Mass
350.101310
SMILES
CC(=O)OCC1C(C(C(C(O1)F)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H19FO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3
InChIKey
JJXATNWYELAACC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
73.06
TPSA
114.43

LogP / Solubility

WLOGP
0.04
MLOGP
0.05
XLogP3
1.1
Consensus LogP
0.4
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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