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CAS 852155-68-1 5′-Guanylic acid, 7-methyl-, monoanhydride with 1Himidazol-1-ylphosphonic acid, disodium salt molecular structure lightbox
CAS RN: 852155-68-1

5′-Guanylic acid, 7-methyl-, monoanhydride with 1Himidazol-1-ylphosphonic acid, disodium salt

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS852155-68-1
  • Purity/Analytical Methods: >99.0%
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852155-68-1 / [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-imidazol-1-ylphosphinic acid

Standard CAS: 852155-68-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852155-68-1
Multi CAS
Yes
Molecular Formula
C14H20N7O10P2
Molecular Weight
508.300000
Exact Mass
508.074689
InChI
InChI=1S/C14H19N7O10P2/c1-19-6-21(11-8(19)12(24)18-14(15)17-11)13-10(23)9(22)7(30-13)4-29-33(27,28)31-32(25,26)20-3-2-16-5-20/h2-3,5-7,9-10,13,22-23H,4H2,1H3,(H4-,15,17,18,24,25,26,27,28)/p+1/t7-,9-,10-,13-/m1/s1
InChIKey
FSLUCUBHOZVVQK-QYVSTXNMSA-O

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
14
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
6
Molar refractivity
106.18
TPSA
241.15

LogP / Solubility

WLOGP
-2.27
MLOGP
-1.96
XLogP3
-4.8
Consensus LogP
-3.01
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-7.43

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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