chempirical

Neoagarobiose

C12H20O10CAS 484-58-2324.28 g/mol

Open in Covalent MOL file
OOOOHOOHHOOHOHHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C12H20O10
Molar mass
324.28 g/mol
Exact mass
324.1056 Da
logP
-4.51Crippen estimate
Polar surface area
166.1 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
7
Stereocentres
S, R, S, S, S, R, 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
484-58-2
SMILES
C1[C@H]2C([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]([C@H](C=O)O)[C@H]([C@@H](CO)O)O)O)O
InChIKey
ILLZAAKBNPACJI-UOFVWDQCSA-N
InChI
InChI=1S/C12H20O10/c13-1-4(15)7(17)10(5(16)2-14)22-12-9(19)11-8(18)6(21-12)3-20-11/h2,4-13,15-19H,1,3H2/t4-,5+,6+,7+,8?,9+,10-,11-,12+/m1/s1

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Work with Neoagarobiose

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

Cellobiose528-50-757 % similar Lactose63-42-357 % similar Maltose69-79-457 % similar Xylopentaose49694-20-455 % similar Maltotriose1109-28-054 % similar Manninotriose13382-86-054 % similar Maltotetraose34612-38-954 % similar Maltopentaose34620-76-354 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook