1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose

C₁₃H₁₈O₉CAS 13035-61-5318.28 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₃H₁₈O₉
Molar mass: 318.28 g/mol
Exact mass: 318.0951 Da
Melting point: 82 °C
Boiling point: 0.105–3 °C
logP: -0.30Crippen estimate
Polar surface area: 114.4 Å²
H-bond donors / acceptors: 0 / 9
Rotatable bonds: 5
Stereocentres: R, S, R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation27.3% of notifiers
H319 Causes serious eye irritation27.3% of notifiers
H335 May cause respiratory irritation27.3% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13035-61-5

SMILES

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

InChIKey

IHNHAHWGVLXCCI-FDYHWXHSSA-N

InChI

InChI=1S/C13H18O9/c1-6(14)18-5-10-11(19-7(2)15)12(20-8(3)16)13(22-10)21-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1

Weigh it out

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

Names and synonyms

12 names

β-D-Ribofuranose, 1,2,3,5-tetraacetate
Ribofuranose, tetraacetate, β-D-
β-D-Ribofuranose, tetraacetate
Tetra-O-acetyl-β-D-ribofuranose
Tetraacetyl-β-D-ribofuranose
1,2,3,5-Tetra-O-acetyl-β-D-ribose
1,2,3,5-Tetraacetyl-β-D-ribofuranose
1β-D-Tetraacetylribose
NSC 18738
β-Ribofuranose-1,2,3,5-tetraacetate
1′,2′,3′,5′-Tetra-O-acetyl-β-D-ribofuranose
1,2,3,5-Tetraacetyl-beta-D-ribofuranose

Work with 1,2,3,5-Tetra-O-acetyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-9Enantiomer

Similar compounds

((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-897 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-197 % similar β-D-Galactose pentaacetate4163-60-497 % similar α-D-Mannose pentaacetate4163-65-997 % similar Alpha-D-glucose pentaacetate604-68-297 % similar Beta-D-Glucose pentaacetate604-69-397 % similar Glucose pentaacetate83-87-497 % similar Octaacetyl-β-maltose22352-19-888 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook