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CAS 20398-34-9 ADENOSINE 5′-DIPHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 20398-34-9

ADENOSINE 5′-DIPHOSPHATE SODIUM SALT

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251005 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250202 10g In stock Inquiry
Batchno.20250828 1g In stock Inquiry
Batchno.20260519 250mg In stock Inquiry
Batchno.20250815 25g In stock Inquiry
Batchno.20250627 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250831 1ml Out of stock 5-7 business days Inquiry
  • Product code: SSC-095987
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20398-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

20398-34-9 / trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

Standard CAS: 20398-34-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20398-34-9
Multi CAS
No
Molecular Formula
C10H12N5Na3O10P2
Molecular Weight
493.150000
Exact Mass
492.975248
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
KWEUUBDPVVHQAL-MSQVLRTGSA-K

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
15
H-bond donors
3
Molar refractivity
77.91
TPSA
241.09

LogP / Solubility

WLOGP
-12.63
MLOGP
-11.08
XLogP3
-12.63
Consensus LogP
-12.11
Log S (ESOL)
5.23
Class (ESOL)
Highly soluble
Log S (Ali)
5.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.9
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)
-14.7

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

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