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CAS 151151-32-5 2′-Deoxycytidine-5′-diphosphate trisodium salt molecular structure lightbox
CAS RN: 151151-32-5

2′-Deoxycytidine-5′-diphosphate trisodium salt

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS151151-32-5
  • Purity/Analytical Methods: >99.0%
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151151-32-5 / trisodium;[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

Standard CAS: 151151-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151151-32-5
Multi CAS
No
Molecular Formula
C9H12N3Na3O10P2
Molecular Weight
453.120000
Exact Mass
452.969100
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]
InChI
InChI=1S/C9H15N3O10P2.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3/t5-,6+,8+;;;/m0.../s1
InChIKey
SXMDNHAPEVRFNF-MILVPLDLSA-K

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
2
Molar refractivity
69.69
TPSA
212.15

LogP / Solubility

WLOGP
-12.18
MLOGP
-10.69
XLogP3
-12.18
Consensus LogP
-11.68
Log S (ESOL)
5.26
Class (ESOL)
Highly soluble
Log S (Ali)
5.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
6.79
Class (SILICOS-IT)
Highly 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)
-14.13

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
4.5

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