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CAS 94825-44-2 GTP-GAMMA-S TETRALITHIUM SALT molecular structure lightbox
CAS RN: 94825-44-2

GTP-GAMMA-S TETRALITHIUM SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94825-44-2
  • Purity/Analytical Methods: >99.0%
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94825-44-2 / tetralithium;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate

Standard CAS: 94825-44-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94825-44-2
Multi CAS
Yes
Molecular Formula
C10H12Li4N5O13P3S
Molecular Weight
563.100000
Exact Mass
563.000531
InChI
InChI=1S/C10H16N5O13P3S.4Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32;;;;/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1
InChIKey
AMQXJFWJOAWCPV-ZVQJTLEUSA-J

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
18
H-bond donors
4
Molar refractivity
96.1
TPSA
293.35

LogP / Solubility

WLOGP
-16.73
MLOGP
-14.68
XLogP3
-16.73
Consensus LogP
-16.05
Log S (ESOL)
7.55
Class (ESOL)
Highly soluble
Log S (Ali)
7.9
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.61
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)
-18.03

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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