CAS RN: 75522-97-3
P1,P5-DI(ADENOSINE-5′-)PENTAPHOSPHATE, TRILITHIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 1mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS75522-97-3
- Purity/Analytical Methods: >99.0%
75522-97-3 / trilithium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Basic Information
CAS
75522-97-3
Multi CAS
Yes
Molecular Formula
C20H26Li3N10O22P5
Molecular Weight
934.200000
Exact Mass
934.039133
InChI
InChI=1S/C20H29N10O22P5.3Li/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30;;;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26);;;/q;3*+1/p-3/t7-,8-,11-,12-,13-,14-,19-,20-;;;/m1.../s1
InChIKey
BFBDFBHROZLGEG-JJCYRVQFSA-K
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
16
H-bond acceptors
30
H-bond donors
8
Molar refractivity
170.03
TPSA
488.99
LogP / Solubility
WLOGP
-13.21
MLOGP
-11.54
XLogP3
-13.21
Consensus LogP
-12.65
Log S (ESOL)
3.53
Class (ESOL)
Highly soluble
Log S (Ali)
2.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.32
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)
-17.8
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
10
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