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CAS 5116-22-3 5-METHOXYMETHYL-2′-DEOXYURIDINE molecular structure lightbox
CAS RN: 5116-22-3

5-METHOXYMETHYL-2′-DEOXYURIDINE

  • Product code: SSC-157981
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5116-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5116-22-3 / 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione

Standard CAS: 5116-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5116-22-3
Multi CAS
Yes
Molecular Formula
C11H16N2O6
Molecular Weight
272.250000
Exact Mass
272.100836
InChI
InChI=1S/C11H16N2O6/c1-18-5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
RSMISTTWWXJOOG-DJLDLDEBSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
63.66
TPSA
113.78

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.47
XLogP3
-1.9
Consensus LogP
-1.68
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-5.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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