CAS RN: 23197-96-8
PURINE RIBOSIDE-5′-O-TRIPHOSPHATE SODIUM 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.20260321 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS23197-96-8
- Purity/Analytical Methods: >99.0%
23197-96-8 / tetrasodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Basic Information
CAS
23197-96-8
Multi CAS
No
Molecular Formula
C10H11N4Na4O13P3
Molecular Weight
580.090000
Exact Mass
579.912625
SMILES
C1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H15N4O13P3/c15-7-6(2-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H,20,21)(H,22,23)(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
InChIKey
IZBXQTSTGHQGKL-FDDDBJFASA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
2
Molar refractivity
82.19
TPSA
264.43
LogP / Solubility
WLOGP
-15.72
MLOGP
-13.79
XLogP3
-15.72
Consensus LogP
-15.08
Log S (ESOL)
6.8
Class (ESOL)
Highly soluble
Log S (Ali)
7.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.66
Class (SILICOS-IT)
Highly 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)
-17.42
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
5.5
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