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CAS 73536-95-5 ADENOSINE 5′-O-(2-THIODIPHOSPHATE) TRILITHIUM SALT molecular structure lightbox
CAS RN: 73536-95-5

ADENOSINE 5′-O-(2-THIODIPHOSPHATE) TRILITHIUM SALT

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS73536-95-5
  • Purity/Analytical Methods: >99.0%
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73536-95-5 / trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dioxidophosphinothioyl phosphate

Standard CAS: 73536-95-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73536-95-5
Multi CAS
Yes
Molecular Formula
C10H12Li3N5O9P2S
Molecular Weight
461.100000
Exact Mass
461.031107
InChI
InChI=1S/C10H15N5O9P2S.3Li/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27;;;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
CPKFUAYUUSSFFZ-MSQVLRTGSA-K

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
3
Molar refractivity
84.59
TPSA
224.02

LogP / Solubility

WLOGP
-12.51
MLOGP
-10.98
XLogP3
-12.51
Consensus LogP
-12
Log S (ESOL)
5.36
Class (ESOL)
Highly soluble
Log S (Ali)
5.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.01
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)
-14.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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