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CAS 71774-13-5 ADENOSINE-3′,5′-CYCLIC -MONOPHOSPHOROTHIOATE molecular structure lightbox
CAS RN: 71774-13-5

ADENOSINE-3′,5′-CYCLIC -MONOPHOSPHOROTHIOATE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 5mg / 25mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS71774-13-5
  • Purity/Analytical Methods: >99.0%
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71774-13-5 / (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Standard CAS: 71774-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71774-13-5
Multi CAS
Yes
Molecular Formula
C10H12N5O5PS
Molecular Weight
345.270000
Exact Mass
345.029677
InChI
InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21?/m1/s1
InChIKey
SMPNJFHAPJOHPP-JOILOJCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
10
H-bond donors
3
Molar refractivity
76.98
TPSA
137.77

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.6
XLogP3
-0.8
Consensus LogP
-0.7
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5

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