CAS RN: 68733-20-0
1,3,4,6-Tetra-O-acetyl-2-azido-2-deoxy-α-D-mannopyranose
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTT1733
- Purity/Analytical Methods: >98.0%(HPLC)
68733-20-0 / (3,4,6-triacetyloxy-5-azidooxan-2-yl)methyl acetate
Basic Information
CAS
68733-20-0
Multi CAS
Yes
Molecular Formula
C14H19N3O9
Molecular Weight
373.320000
Exact Mass
373.112129
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-12(23-7(2)19)13(24-8(3)20)11(16-17-15)14(26-10)25-9(4)21/h10-14H,5H2,1-4H3
InChIKey
QKGHBQJLEHAMKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
81.1
TPSA
163.19
LogP / Solubility
WLOGP
0.38
MLOGP
0.36
XLogP3
0.7
Consensus LogP
0.48
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-4.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
N-Glycolyl-D-mannosamine Pentaacetate
- CAS RN: 258824-38-3
- Product Code: ICTG0463
- Purity/Analytical method: >93.0%(HPLC)
-
-
-
-
-
