α-D-Mannose pentaacetate
Properties
- Molecular formula
- C16H22O11
- Molar mass
- 390.34 g/mol
- Exact mass
- 390.1162 Da
- Melting point
- 74 °C
- Boiling point
- 135 °C
- logP
- -0.37Crippen estimate
- Polar surface area
- 140.7 Ų
- H-bond donors / acceptors
- 0 / 11
- Rotatable bonds
- 6
- Stereocentres
- R, R, S, S, Rin SMILES atom order
Identifiers
CAS number
4163-65-9SMILES
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OInChIKey
LPTITAGPBXDDGR-OWYFMNJBSA-NInChI
InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15+,16+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- α-D-Mannopyranose, 1,2,3,4,6-pentaacetate
- Mannopyranose, pentaacetate, α-D-
- α-D-Mannopyranose, pentaacetate
- Penta-O-acetyl-α-D-mannopyranose
- 1,2,3,4,6-Penta-O-acetyl-α-D-mannopyranose
- 1,2,3,4,6-Penta-O-acetyl-α-D-mannose
- NSC 51251
- 2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl acetate
Work with α-D-Mannose pentaacetate
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
Similar compounds
1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-597 % similar
1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-997 % similar
Octaacetyl-β-maltose22352-19-891 % similar
1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-373 % similar
α-Acetobromogalactose3068-32-469 % similar
2-Amino-2-deoxy-1,3,4,6-tetra-O-acetyl-β,D-glucopyranose hydrochloride10034-20-569 % similar
Tetra-O-acetyl-1-thio-β-D-glucopyranose19879-84-668 % similar
1,2,3,4-Tetra-O-acetyl-β-D-glucopyranose13100-46-467 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds