CAS RN: 70285-70-0
Adenosine 5′-(trihydrogen diphosphate), monopotassium salt
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.20250425 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70285-70-0
- Purity/Analytical Methods: >99.0%
70285-70-0 / potassium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Basic Information
CAS
70285-70-0
Multi CAS
Yes
Molecular Formula
C10H14KN5O10P2
Molecular Weight
465.290000
Exact Mass
464.985297
InChI
InChI=1S/C10H14N5O10P2.K/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q-1;+1/t4-,6-,7-,10-;/m1./s1
InChIKey
YGYVXAGQLQDNRF-MCDZGGTQSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
5
Molar refractivity
82.35
TPSA
235.43
LogP / Solubility
WLOGP
-5.37
MLOGP
-4.7
XLogP3
-5.37
Consensus LogP
-5.15
Log S (ESOL)
0.82
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
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)
-9.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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