CAS RN: 207300-85-4
5′-GTP trisodium salt hydrate
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.20250801 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS207300-85-4
- Purity/Analytical Methods: >99.0%
207300-85-4 / sodium;[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;hydrate
Basic Information
CAS
207300-85-4
Multi CAS
No
Molecular Formula
C10H18N5NaO15P3+
Molecular Weight
564.190000
Exact Mass
563.990995
SMILES
C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N.O.[Na+]
InChI
InChI=1S/C10H16N5O14P3.3Na.H2O/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;;;1H2/q;3*+1;/p-3/t3-,5-,6-,9-;;;;/m1..../s1
InChIKey
NRLVOUBWXGSSNU-ZVQJTLEUSA-K
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
8
Molar refractivity
101.92
TPSA
330.6
LogP / Solubility
WLOGP
-6.16
MLOGP
-5.37
XLogP3
-6.16
Consensus LogP
-5.9
Log S (ESOL)
0.87
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.82
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)
-10.53
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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