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CAS 26879-47-0 5-Methyl-1-beta-L-ribofuranosyl-2,4(1H,3H)-pyrimidinedione molecular structure lightbox
CAS RN: 26879-47-0

5-Methyl-1-beta-L-ribofuranosyl-2,4(1H,3H)-pyrimidinedione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS26879-47-0
  • Purity/Analytical Methods: >99.0%
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26879-47-0 / 1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 26879-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26879-47-0
Multi CAS
No
Molecular Formula
C10H14N2O6
Molecular Weight
258.230000
Exact Mass
258.085186
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m0/s1
InChIKey
DWRXFEITVBNRMK-AZRUVXNYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
59.07
TPSA
124.78

LogP / Solubility

WLOGP
-2.54
MLOGP
-2.23
XLogP3
-1.6
Consensus LogP
-2.12
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
0.16
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.53
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)
-6.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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