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CAS 71997-32-5 3′-DEOXYADENOSINE 5′-TRIPHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 71997-32-5

3′-DEOXYADENOSINE 5′-TRIPHOSPHATE SODIUM SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS71997-32-5
  • Purity/Analytical Methods: >99.0%
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71997-32-5 / [[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Standard CAS: 71997-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71997-32-5
Multi CAS
Yes
Molecular Formula
C10H16N5O12P3
Molecular Weight
491.180000
Exact Mass
491.000832
InChI
InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
InChIKey
NLIHPCYXRYQPSD-BAJZRUMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
13
H-bond donors
6
Molar refractivity
94.09
TPSA
258.9

LogP / Solubility

WLOGP
-0.6
MLOGP
-0.49
XLogP3
-4.5
Consensus LogP
-1.86
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-6.14

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
5

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