CAS RN: 34369-07-8

Adenosine 5′-Triphosphate Disodium Salt Hydrate

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  • Product code: SSC-140723
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Verified Factory Data

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  • Available purity: ≥98%
  • Inventory rows with stock: 2
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Recorded sizes, purity and stock details for CAS 34369-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 3 In Stock Beijing Inquiry
10g ≥98% 2 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

34369-07-8 / disodium;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate;hydrate

Standard CAS: 34369-07-8 Multi CAS: Yes

Basic Information

CAS
34369-07-8
Multi CAS
Yes
Molecular Formula
C10H16N5NA2O14P3
Molecular Weight
569.160000
Exact Mass
568.970200
InChI
InChI=1S/C10H16N5O13P3.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
NTBQNWBHIXNPRU-MSQVLRTGSA-L

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
5
Molar refractivity
94.65
TPSA
316.29

LogP / Solubility

WLOGP
-9.71
MLOGP
-8.5
XLogP3
-9.71
Consensus LogP
-9.31
Log S (ESOL)
3.08
Class (ESOL)
Highly soluble
Log S (Ali)
2.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.74
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)
-13.09

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
6

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