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CAS 18423-42-2 CTP xsodium molecular structure lightbox
CAS RN: 18423-42-2

CTP xsodium

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 100mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS18423-42-2
  • Purity/Analytical Methods: >99.0%
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18423-42-2 / sodium [[[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

Standard CAS: 18423-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18423-42-2
Multi CAS
No
Molecular Formula
C9H15N3NaO14P3
Molecular Weight
505.140000
Exact Mass
504.966457
SMILES
C1=CN(C(=O)N=C1N)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+]
InChI
InChI=1S/C9H16N3O14P3.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);/q;+1/p-1/t4-,6-,7-,8?;/m1./s1
InChIKey
WLXAPABOZXFQTH-YMCBRKDHSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
6
Molar refractivity
86.43
TPSA
273.25

LogP / Solubility

WLOGP
-5.84
MLOGP
-5.1
XLogP3
-5.84
Consensus LogP
-5.59
Log S (ESOL)
1.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.51
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.94
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)
-9.95

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
6

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