1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose

C₁₄H₂₀O₁₀CAS 18968-05-3348.30 g/mol

Open in Covalent MOL file

Acetal Alcohol Ester Ether

Properties

Molecular formula: C₁₄H₂₀O₁₀
Molar mass: 348.30 g/mol
Exact mass: 348.1056 Da
logP: -0.94Crippen estimate
Polar surface area: 134.7 Å²
H-bond donors / acceptors: 1 / 10
Rotatable bonds: 5
Stereocentres: R, S, S, R, Rin SMILES atom order

Identifiers

CAS number

18968-05-3

SMILES

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

InChIKey

SHBHJRVMGYVXKK-XVIXHAIJSA-N

InChI

InChI=1S/C14H20O10/c1-6(15)20-5-10-12(21-7(2)16)13(22-8(3)17)11(19)14(24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12-,13-,14-/m1/s1

Weigh it out

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

Names and synonyms

2 names

β-D-Mannopyranose, 1,3,4,6-tetraacetate
Mannopyranose, 1,3,4,6-tetraacetate, β-D-

Work with 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose

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

1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-575 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-975 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-173 % similar β-D-Galactose pentaacetate4163-60-473 % similar α-D-Mannose pentaacetate4163-65-973 % similar Penta-O-acetyl-α-D-glucopyranose604-68-273 % similar β-D-Glucose pentaacetate604-69-373 % similar Glucose pentaacetate83-87-473 % similar

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

Same formula

1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose13100-46-4

Elsewhere

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