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CAS 97952-36-8 GUANOSINE 5′-O-(2-THIODIPHOSPHATE) TRILITHIUM SALT molecular structure lightbox
CAS RN: 97952-36-8

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

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2 package records2 with current stock2 grade groups
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Batchno.20260125 1mg In stock Inquiry
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Batchno.20250409 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS97952-36-8
  • Purity/Analytical Methods: >99.0%
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97952-36-8 / trilithium;[(2R,3S,4R,5R)-5-(2-amino-6-oxidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(oxido)phosphinothioyl] phosphate

Standard CAS: 97952-36-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97952-36-8
Multi CAS
Yes
Molecular Formula
C10H12Li3N5O10P2S
Molecular Weight
477.100000
Exact Mass
477.026022
InChI
InChI=1S/C10H15N5O10P2S.3Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28;;;/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1
InChIKey
LMCWQGPJYZRMKU-CYCLDIHTSA-K

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
4
Molar refractivity
86.25
TPSA
244.25

LogP / Solubility

WLOGP
-12.81
MLOGP
-11.24
XLogP3
-12.81
Consensus LogP
-12.29
Log S (ESOL)
5.45
Class (ESOL)
Highly soluble
Log S (Ali)
5.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.15
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)
-14.72

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
5.5

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