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CAS 132619-65-9 2′,3′-DIDEOXYADENOSINE-5′-O-TRIPHOSPHATE SODIUM SALT molecular structure lightbox
CAS RN: 132619-65-9

2′,3′-DIDEOXYADENOSINE-5′-O-TRIPHOSPHATE SODIUM SALT

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS132619-65-9
  • Purity/Analytical Methods: >99.0%
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132619-65-9 / 2′,3′-DIDEOXYADENOSINE-5′-O-TRIPHOSPHATE SODIUM SALT

Standard CAS: 132619-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132619-65-9
Multi CAS
No
Molecular Formula
C10H16N5Na2O11P3
Molecular Weight
521.160000
Exact Mass
520.985456
SMILES
C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=CN=C32)N.[Na].[Na]
InChI
InChI=1S/C10H16N5O11P3.Na/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18;/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18);/q;+1/p-1/t6-,7+;/m0./s1
InChIKey
LSONWOOBEILFDO-UOERWJHTSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
5
Molar refractivity
104.2
TPSA
238.67

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.25
XLogP3
-0.33
Consensus LogP
-0.3
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-6.13

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
4.5

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