Cas no 33780-80-2 (6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI))

6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI) structure
33780-80-2 structure
Product Name:6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI)
CAS No:33780-80-2
MF:C12H14N2O7
MW:298.248763561249
CID:317208
PubChem ID:188211
Update Time:2025-04-19

6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI)
    • ethyl (2S,3S,3aR,9aS)-3-hydroxy-2-(hydroxymethyl)-6-oxo-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidine-8-carboxylate
    • Ethyl ara-orotate
    • 6H-Furo(2',3'-4,5)oxazolo(3,2-a)pyrimidine-8-carboxylic acid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester, (2S-(2alpha,3beta,3abeta,9abeta))-
    • Ethyl 2,2'-anhydro-1-(beta-D-arabinofuranosyl)orotate
    • 2,2'-Anhydro-1-(beta-arabinofuranosyl)orotic acid ethyl ester
    • 33780-80-2
    • 2,2'-Anhydro-1-(beta-D-arabinofuranosyl)orotic acid ethyl ester
    • DTXSID80187444
    • Inchi： 1S/C12H14N2O7/c1-2-19-11(18)5-3-7(16)13-12-14(5)10-9(21-12)8(17)6(4-15)20-10/h3,6,8-10,15,17H,2,4H2,1H3/t6-,8-,9+,10-/m0/s1
    • InChI Key： QUASVQIYZLPFFO-MCNGFCJOSA-N
    • SMILES： O1[C@@H](CO)[C@@H]([C@@H]2[C@H]1N1C(C(=O)OCC)=CC(N=C1O2)=O)O

Computed Properties

  • Exact Mass: 298.08012
  • Monoisotopic Mass: 298.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 544
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.8
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • Density: 1.82
  • Boiling Point: 503.8°Cat760mmHg
  • Flash Point: 258.5°C
  • Refractive Index: 1.72
  • PSA: 117.89

6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI) Related Literature

33780-80-2 (6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-8-carboxylicacid, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-6-oxo-, ethyl ester,[2S-(2a,3b,3ab,9ab)]- (9CI)) Related Products

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