chempirical

1,2,3-Tri-O-acetyl-5-deoxy-β-D-ribofuranose

C11H16O7CAS 62211-93-2260.24 g/mol

Open in Covalent MOL file
OOOOOOO
AcetalEsterEther

Properties

Molecular formula
C11H16O7
Molar mass
260.24 g/mol
Exact mass
260.0896 Da
Melting point
63–64 °C
logP
0.16Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
3
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
62211-93-2
SMILES
CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIKey
NXEJETQVUQAKTO-PRTGYXNQSA-N
InChI
InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • β-D-Ribofuranose, 5-deoxy-, 1,2,3-triacetate
  • β-D-Ribofuranose, 5-deoxy-, triacetate

Work with 1,2,3-Tri-O-acetyl-5-deoxy-β-D-ribofuranose

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Diacetoxybutane1114-92-756 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-554 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-954 % similar 1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose13100-46-453 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-153 % similar β-D-Galactose pentaacetate4163-60-453 % similar α-D-Mannose pentaacetate4163-65-953 % similar Penta-O-acetyl-α-D-glucopyranose604-68-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook