CAS RN: 155196-97-7
2′-Azidoethyl a-mannopyranoside
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS155196-97-7
- Purity/Analytical Methods: >99.0%
155196-97-7 / (2S,3S,4S,5S,6R)-2-(2-azidoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
155196-97-7
Multi CAS
No
Molecular Formula
C8H15N3O6
Molecular Weight
249.220000
Exact Mass
249.096085
SMILES
C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C8H15N3O6/c9-11-10-1-2-16-8-7(15)6(14)5(13)4(3-12)17-8/h4-8,12-15H,1-3H2/t4-,5-,6+,7+,8+/m1/s1
InChIKey
VGCOVRUENPCVTD-HEIBUPTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
53.73
TPSA
148.14
LogP / Solubility
WLOGP
-1.89
MLOGP
-1.65
XLogP3
-1.3
Consensus LogP
-1.61
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very 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)
-5.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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