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CAS 149022-20-8 ADENOSINE-5′-MONOPHOSPHATE DISODIUM SALT molecular structure lightbox
CAS RN: 149022-20-8

ADENOSINE-5′-MONOPHOSPHATE DISODIUM SALT

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 100g In stock Inquiry
Batchno.20250709 1g In stock Inquiry
Batchno.20251004 25g In stock Inquiry
Batchno.20250326 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100g In stock Shanghai, Shandong Inquiry
Batchno.20250120 1g In stock Guangdong Inquiry
Batchno.20250728 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260211 500g In stock Shanghai Inquiry
Batchno.20260423 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS149022-20-8
  • Purity/Analytical Methods: >99.0%
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149022-20-8 / disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;hydrate

Standard CAS: 149022-20-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149022-20-8
Multi CAS
No
Molecular Formula
C10H14N5Na2O8P
Molecular Weight
409.200000
Exact Mass
409.037538
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N.O.[Na+].[Na+]
InChI
InChI=1S/C10H14N5O7P.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
HDDUZEKWRALMDG-MSQVLRTGSA-L

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
3
Molar refractivity
72.83
TPSA
223.23

LogP / Solubility

WLOGP
-9.94
MLOGP
-8.73
XLogP3
-9.94
Consensus LogP
-9.54
Log S (ESOL)
3.9
Class (ESOL)
Highly soluble
Log S (Ali)
4.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.45
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)
-12.28

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
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 12 of 12 companies. For more detailed information, please visit ECHA C&L website.

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