CAS RN: 29886-19-9
2′,3′-DI-O-ACETYLADENOSINE
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.20250927 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29886-19-9
- Purity/Analytical Methods: >99.0%
29886-19-9 / [(2R,3R,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
Basic Information
CAS
29886-19-9
Multi CAS
Yes
Molecular Formula
C14H17N5O6
Molecular Weight
351.310000
Exact Mass
351.117883
InChI
InChI=1S/C14H17N5O6/c1-6(21)23-10-8(3-20)25-14(11(10)24-7(2)22)19-5-18-9-12(15)16-4-17-13(9)19/h4-5,8,10-11,14,20H,3H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
InChIKey
OUQFHKYWNKYTTQ-IDTAVKCVSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
11
H-bond donors
2
Molar refractivity
81.84
TPSA
151.68
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.72
XLogP3
-0.5
Consensus LogP
-0.69
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-5.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
