CAS RN: 51963-61-2
Adenosine5′-(tetrahydrogen triphosphate), disodiuM salt, trihydrate (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 10g / 50g / 250g / 1kg | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS51963-61-2
- Purity/Analytical Methods: >99.0%
51963-61-2 / disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate;trihydrate
Basic Information
CAS
51963-61-2
Multi CAS
Yes
Molecular Formula
C10H20N5NA2O16P3
Molecular Weight
605.190000
Exact Mass
604.991329
InChI
InChI=1S/C10H16N5O13P3.2Na.3H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;3*1H2/q;2*+1;;;/p-2/t4-,6-,7-,10-;;;;;/m1...../s1
InChIKey
MWEQTWJABOLLOS-AZGWGOJFSA-L
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
5
Molar refractivity
101.88
TPSA
379.29
LogP / Solubility
WLOGP
-11.36
MLOGP
-9.95
XLogP3
-11.36
Consensus LogP
-10.89
Log S (ESOL)
3.91
Class (ESOL)
Highly soluble
Log S (Ali)
3.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.87
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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- CAS RN: 51970-29-7
- Product Code: starshine_CAS51970-29-7
- Purity/Analytical method: >99.0%
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