chempirical

Neoagarotetraose

C24H38O19CAS 16033-31-1630.55 g/mol

Open in Covalent MOL file
OOOOHOOOOOOHOOHOHOHOHOHOHOHHO
AcetalAlcoholEther

Properties

Molecular formula
C24H38O19
Molar mass
630.55 g/mol
Exact mass
630.2007 Da
logP
-7.66Crippen estimate
Polar surface area
285.4 Ų
H-bond donors / acceptors
10 / 19
Rotatable bonds
8
Stereocentres
S, R, R, S, S, S, S, R, S, R, R, S, S, S, S, S, S, R, R, 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
16033-31-1
SMILES
C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O)CO)O)O)CO)O)O)O
InChIKey
XASQSRDYYCWSME-YGYOOBKXSA-N
InChI
InChI=1S/C24H38O19/c25-1-5-9(27)18(12(30)21(34)37-5)42-24-15(33)20-16(8(40-24)4-36-20)41-23-14(32)19(10(28)6(2-26)38-23)43-22-13(31)17-11(29)7(39-22)3-35-17/h5-34H,1-4H2/t5-,6-,7+,8+,9+,10+,11-,12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+,23+,24+/m1/s1

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Work with Neoagarotetraose

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

Neoagarooctaose25023-94-3100 % similar Laminarin9008-22-469 % similar Glycogen9005-79-260 % similar Agar9002-18-058 % similar α-D-Lactose14641-93-153 % similar β-Lactose5965-66-253 % similar Dextrin9004-53-953 % similar Amylodextrin9005-84-953 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook