CAS RN: 1135689-76-7
DDGTP 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.20251027 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1135689-76-7
- Purity/Analytical Methods: >99.0%
1135689-76-7 / trisodium;[[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
AKOS030212379 | Sodium ((2S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl hydrogen triphosphate
Basic Information
CAS
1135689-76-7
Multi CAS
Yes
Molecular Formula
C10H13N5Na3O12P3
Molecular Weight
557.130000
Exact Mass
556.946665
SMILES
C1C[C@@H](O[C@@H]1COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])N2C=NC3=C2N=C(NC3=O)N.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H16N5O12P3.Na/c11-10-13-8-7(9(16)14-10)12-4-15(8)6-2-1-5(25-6)3-24-29(20,21)27-30(22,23)26-28(17,18)19;/h4-6H,1-3H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16);
InChIKey
HSPWPHKJYZLPJY-UHFFFAOYSA-N
Synonyms
AKOS030212379
Sodium ((2S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl hydrogen triphosphate
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
15
H-bond donors
3
Molar refractivity
88.87
TPSA
267.13
LogP / Solubility
WLOGP
-11.16
MLOGP
-9.78
XLogP3
-11.16
Consensus LogP
-10.7
Log S (ESOL)
4.06
Class (ESOL)
Highly soluble
Log S (Ali)
3.93
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.02
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)
-14.04
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
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