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CAS 64564-03-0 GUANYLYL-5′-IMIDODIPHOSPHATE, TETRALITHIUM SALT molecular structure lightbox
CAS RN: 64564-03-0

GUANYLYL-5′-IMIDODIPHOSPHATE, TETRALITHIUM SALT

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 1mg / 5mg / 10mg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS64564-03-0
  • Purity/Analytical Methods: >99.0%
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64564-03-0 / tetralithium;[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonatoamino)phosphinate

Standard CAS: 64564-03-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64564-03-0
Multi CAS
Yes
Molecular Formula
C10H13Li4N6O13P3
Molecular Weight
546.000000
Exact Mass
546.039359
InChI
InChI=1S/C10H17N6O13P3.4Li/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22;;;;/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24);;;;/q;4*+1/p-4
InChIKey
NUKFMILQQVRELO-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
17
H-bond donors
5
Molar refractivity
91.48
TPSA
313.22

LogP / Solubility

WLOGP
-17.27
MLOGP
-15.16
XLogP3
-17.27
Consensus LogP
-16.57
Log S (ESOL)
8
Class (ESOL)
Highly soluble
Log S (Ali)
8.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
10.17
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)
-18.32

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
7

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