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CAS 108321-53-5 URIDINE 5′-TRIPHOSPHATE TRIS SALT molecular structure lightbox
CAS RN: 108321-53-5

URIDINE 5′-TRIPHOSPHATE TRIS SALT

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Batchno.20251205 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS108321-53-5
  • Purity/Analytical Methods: >99.0%
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108321-53-5 / 2-amino-2-(hydroxymethyl)propane-1,3-diol;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

RefChem:388173 | Uridine 5'-(tetrahydrogen triphosphate), compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol | Uridine 5'-triphosphate tris salt

Standard CAS: 108321-53-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108321-53-5
Multi CAS
Yes
Molecular Formula
C13H26N3O18P3
Molecular Weight
605.280000
Exact Mass
605.042422
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O.C(C(CO)(CO)N)O
InChI
InChI=1S/C9H15N2O15P3.C4H11NO3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;5-4(1-6,2-7)3-8/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);6-8H,1-3,5H2/t4-,6-,7-,8-;/m1./s1
InChIKey
NHMNWWVJZZPKSL-IAIGYFSYSA-N
Synonyms
RefChem:388173 Uridine 5'-(tetrahydrogen triphosphate), compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol Uridine 5'-triphosphate tris salt Uridine5-triphosphatetrissalt Utp tris salt type vi

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
16
H-bond donors
11
Molar refractivity
115.24
TPSA
351.08

LogP / Solubility

WLOGP
-4.84
MLOGP
-4.21
XLogP3
-4.84
Consensus LogP
-4.63
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-9.85

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
7

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 38 of 38 companies. For more detailed information, please visit ECHA C&L website.

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