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CAS 26108-75-8 1,3,4,6-TETRA-O-ACETYL-2-AMINO-2-DESOXY-BETA-D-GLUCOPYRANOSE HYDROCHLORIDE molecular structure lightbox
CAS RN: 26108-75-8

1,3,4,6-TETRA-O-ACETYL-2-AMINO-2-DESOXY-BETA-D-GLUCOPYRANOSE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS26108-75-8
  • Purity/Analytical Methods: >99.0%
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26108-75-8 / [(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate

Standard CAS: 26108-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26108-75-8
Multi CAS
No
Molecular Formula
C14H21NO9
Molecular Weight
347.320000
Exact Mass
347.121631
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H21NO9/c1-6(16)20-5-10-12(21-7(2)17)13(22-8(3)18)11(15)14(24-10)23-9(4)19/h10-14H,5,15H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
InChIKey
ZRAWPYYLRZSVEU-DHGKCCLASA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
76.14
TPSA
140.45

LogP / Solubility

WLOGP
-0.97
MLOGP
-0.84
XLogP3
-0.2
Consensus LogP
-0.67
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-5.53

Drug-likeness / Medicinal Chemistry

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

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