chempirical

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. Search the SDS library

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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