α-D-Mannose pentaacetate

C16H22O11CAS 4163-65-9390.34 g/mol

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AcetalEsterEther

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
4163-65-9
SMILES
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)=O
InChIKey
LPTITAGPBXDDGR-OWYFMNJBSA-N
InChI
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/s1

Weigh 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

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.

Beta-D-Glucose pentaacetate604-69-3Diastereomer β-D-Galactose pentaacetate4163-60-4Diastereomer Alpha-D-glucose pentaacetate604-68-2Diastereomer Penta-O-acetyl-α-D-galactopyranose4163-59-1Diastereomer Glucose pentaacetate83-87-4Stereoisomer ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-8Stereoisomer

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 Alpha-D-cellobiose octaacetate5346-90-791 % similar 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-373 % similar Alpha-Acetobromogalactose3068-32-469 % similar 2,3,4,6-Tetraacetyl-α-D-glucopyranosyl bromide572-09-869 % similar 2-Amino-2-deoxy-1,3,4,6-tetra-O-acetyl-β,D-glucopyranose hydrochloride10034-20-569 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5,6-Penta-O-acetyl-D-glucose3891-59-6 Monotropein5945-50-6

Elsewhere

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