CAS RN: 15718-50-0
URIDINE-2′,3′-CYCLIC MONOPHOSPHATE SODIUM SALT
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS15718-50-0
- Purity/Analytical Methods: >99.0%
15718-50-0 / sodium 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4-dione
Basic Information
CAS
15718-50-0
Multi CAS
No
Molecular Formula
C9H10N2NaO8P
Molecular Weight
328.150000
Exact Mass
328.007247
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)[O-].[Na+]
InChI
InChI=1S/C9H11N2O8P.Na/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14;/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14);/q;+1/p-1/t4-,6-,7-,8-;/m1./s1
InChIKey
LXUDDBXIXSYSRT-IAIGYFSYSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
2
Molar refractivity
59.67
TPSA
142.91
LogP / Solubility
WLOGP
-5.32
MLOGP
-4.66
XLogP3
-5.32
Consensus LogP
-5.1
Log S (ESOL)
1.4
Class (ESOL)
Highly soluble
Log S (Ali)
1.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.38
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)
-8.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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- Product Code: starshine_CAS15728-26-4
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