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CAS 114952-97-5 2′-O-METHYL-5-METHYLURIDINE molecular structure lightbox
CAS RN: 114952-97-5

2′-O-METHYL-5-METHYLURIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS114952-97-5
  • Purity/Analytical Methods: >99.0%
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114952-97-5 / 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

2'-O-methyl-5-methyluridine | 5-Methyl-2'-O-methyluridine | 2'-O-Methylribothymidine

Standard CAS: 114952-97-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114952-97-5
Multi CAS
Yes
Molecular Formula
C11H16N2O6
Molecular Weight
272.250000
Exact Mass
272.100836
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OC
InChI
InChI=1S/C11H16N2O6/c1-5-3-13(11(17)12-9(5)16)10-8(18-2)7(15)6(4-14)19-10/h3,6-8,10,14-15H,4H2,1-2H3,(H,12,16,17)/t6-,7-,8-,10-/m1/s1
InChIKey
YHRRPHCORALGKQ-FDDDBJFASA-N
Synonyms
2'-O-methyl-5-methyluridine 5-Methyl-2'-O-methyluridine 2'-O-Methylribothymidine 2'-O-Methylthymidine LN2CV4K34C

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
63.86
TPSA
113.78

LogP / Solubility

WLOGP
-1.89
MLOGP
-1.65
XLogP3
-1.6
Consensus LogP
-1.71
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very 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)
-5.72

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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