chempirical

Penta-O-benzoyl-alpha-D-mannopyranose

C41H32O11CAS 41569-33-9700.70 g/mol

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AcetalEsterEther

Properties

Molecular formula
C41H32O11
Molar mass
700.70 g/mol
Exact mass
700.1945 Da
logP
6.10Crippen estimate
Polar surface area
140.7 Ų
H-bond donors / acceptors
0 / 11
Rotatable bonds
11
Stereocentres
R, R, S, S, Rin 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
41569-33-9
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChIKey
JJNMLNFZFGSWQR-LAWAEFJSSA-N
InChI
InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33-,34+,35+,41-/m1/s1

Weigh it out

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Names and synonyms

1 names
  • 1,2,3,4,6-Penta-O-benzoyl-alpha-D-mannopyranose

Work with Penta-O-benzoyl-alpha-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

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.

Alpha-D-glucopyranose pentabenzoate22415-91-4Diastereomer

Similar compounds

1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose3080-30-679 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-979 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-574 % similar 2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose97614-43-274 % similar Penta-O-galloyl-β-D-glucose14937-32-764 % similar Glyceryl tribenzoate614-33-557 % similar (3S,4S,5R)-5-((Benzoyloxy)methyl)-4-fluorotetrahydrofuran-2,3-diyl diacetate159099-24-857 % similar (6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate10300-20-654 % similar

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

Elsewhere

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