CAS RN: 104809-16-7
7-METHYLGUANOSINE 5′-DIPHOSPHATE 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.20250307 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS104809-16-7
- Purity/Analytical Methods: >99.0%
104809-16-7 / [(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
m7GDP | 7-Methylguanosine 5'-diphosphate sodium | SCHEMBL29448235
Basic Information
CAS
104809-16-7
Multi CAS
Yes
Molecular Formula
C11H19N5O11P2
Molecular Weight
459.240000
Exact Mass
459.055630
SMILES
CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
InChIKey
QQODJOAVWUWVHJ-KQYNXXCUSA-N
Synonyms
m7GDP
7-Methylguanosine 5'-diphosphate sodium
SCHEMBL29448235
F82889
7-Methylguanosine 5'-diphosphate sodium salt, >=92.5%
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
7
Molar refractivity
94.6
TPSA
241.23
LogP / Solubility
WLOGP
-2.76
MLOGP
-2.4
XLogP3
-5
Consensus LogP
-3.39
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-7.48
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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