1,3,5-Tri-O-acetyl-2-deoxy-D-erythro-pentofuranose

C11H16O7CAS 4594-52-9260.24 g/mol

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AcetalEsterEther

Properties

Molecular formula
C11H16O7
Molar mass
260.24 g/mol
Exact mass
260.0896 Da
logP
0.16Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4594-52-9
SMILES
CC(=O)OC[C@@H]1[C@H](CC(O1)OC(=O)C)OC(=O)C
InChIKey
QAGMBTAACMQRSS-MTULOOOASA-N
InChI
InChI=1S/C11H16O7/c1-6(12)15-5-10-9(16-7(2)13)4-11(18-10)17-8(3)14/h9-11H,4-5H2,1-3H3/t9-,10+,11?/m0/s1

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Work with 1,3,5-Tri-O-acetyl-2-deoxy-D-erythro-pentofuranose

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

1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose1207459-15-154 % 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 Triacetin102-76-153 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-853 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-153 % similar β-D-Galactose pentaacetate4163-60-453 % similar α-D-Mannose pentaacetate4163-65-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3-Tri-O-acetyl-5-deoxy-β-D-ribofuranose62211-93-2

Elsewhere

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