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CAS 1457-11-0 Uridine 5′-(trihydrogen diphosphate) sodium salt molecular structure lightbox
CAS RN: 1457-11-0

Uridine 5′-(trihydrogen diphosphate) sodium salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: LINU900292
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1457-11-0 / sodium [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono phosphate

Standard CAS: 1457-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1457-11-0
Multi CAS
No
Molecular Formula
C9H13N2NaO12P2
Molecular Weight
426.140000
Exact Mass
425.984142
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)O)O)O.[Na+]
InChI
InChI=1S/C9H14N2O12P2.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1
InChIKey
GFASEGWJDXDCKZ-LLWADOMFSA-K

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
5
Molar refractivity
73.93
TPSA
220.67

LogP / Solubility

WLOGP
-6.25
MLOGP
-5.47
XLogP3
-6.25
Consensus LogP
-5.99
Log S (ESOL)
1.68
Class (ESOL)
Highly soluble
Log S (Ali)
1.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.03
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)
-9.75

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
5

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