CAS RN: 19916-78-0
α-2′-Deoxyguanosine
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.20251120 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS19916-78-0
- Purity/Analytical Methods: >99.0%
19916-78-0 / 2-amino-9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Basic Information
CAS
19916-78-0
Multi CAS
No
Molecular Formula
C10H13N5O4
Molecular Weight
267.240000
Exact Mass
267.096754
SMILES
C1[C@@H]([C@@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6+/m0/s1
InChIKey
YKBGVTZYEHREMT-HCWXCVPCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
64.18
TPSA
139.28
LogP / Solubility
WLOGP
-1.66
MLOGP
-1.45
XLogP3
-0.9
Consensus LogP
-1.34
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very 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)
-5.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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