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Uridine-5-oxyacetic acid methyl ester structure
Uridine-5-oxyacetic acid methyl ester structure

Uridine-5-oxyacetic acid methyl ester

Iupac Name:methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CAS No.: 66536-81-0
Molecular Weight:332.265
Modify Date.: 2022-02-12 04:35
1. Names and Identifiers
1.1 Name
Uridine-5-oxyacetic acid methyl ester
1.2 Synonyms

Acetic acid, [(1,2,3,4-tetrahydro-2,4-dioxo-1-β-D-ribofuranosyl-5-pyrimidinyl)oxy]-, methyl ester mcmo5U Methyl [(1,2,3,4-tetrahydro-2,4-dioxo-1-β-D-ribofuranosyl-5-pyrimidinyl)oxy]acetate methyl uridin-5-yloxyacetate Uridine-5-oxyacetic acid methyl ester

1.3 CAS No.
66536-81-0
1.4 CID
191808
1.5 Molecular Formula
C12H16N2O9 (isomer)
1.6 Inchi
InChI=1S/C12H16N2O9/c1-21-7(16)4-22-5-2-14(12(20)13-10(5)19)11-9(18)8(17)6(3-15)23-11/h2,6,8-9,11,15,17-18H,3-4H2,1H3,(H,13,19,20)/t6-,8-,9-,11-/m1/s1
1.7 InChkey
WZRYXYRWFAPPBJ-PNHWDRBUSA-N
1.8 Canonical Smiles
COC(=O)COC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
1.9 Isomers Smiles
COC(=O)COC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
2. Properties
3.1 Density
1.65
3.1 Boiling point
°Cat760mmHg
3.1 Refractive index
1.622
3.1 Flash Point
°C
3.1 PSA
154.86
3.1 Solubility
微溶 (6.3 g/L) (25 oC),
3. Use and Manufacturing
4.1 Definition
ChEBI: A methyl ester that is uridine which is substituted at position 5 on the uracil ring by a methoxycarbonylmethoxy group. Uridine-5-oxyacetic acid methyl esterSupplier
4. Other Information
4.0 Definition
ChEBI: A methyl ester that is uridine which is substituted at position 5 on the uracil ring by a methoxycarbonylmethoxy group.
5. Computational chemical data
  • Molecular Weight: 332.265g/mol
  • Molecular Formula: C12H16N2O9
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 332.08558009
  • Monoisotopic Mass: 332.08558009
  • Complexity: 535
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Topological Polar Surface Area: 155
  • Heavy Atom Count: 23
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
6. Recommended Suppliers
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Uridine 5-oxyacetic acid methyl ester
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  • Time: 2020/02/14
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Uridine 5-oxyacetic acid methyl ester
  • Purity:99%Packing: 200kg/bag FOB
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Methyluridine-5-oxyacetic acid
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/02/26
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