chempirical

Bis-propargyl-peg13

C30H54O13CAS 1351373-50-6622.75 g/mol

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Properties

Molecular formula
C30H54O13
Molar mass
622.75 g/mol
Exact mass
622.3564 Da
logP
0.47Crippen estimate
Polar surface area
120.0 Ų
H-bond donors / acceptors
0 / 13
Rotatable bonds
38

Identifiers

CAS number
1351373-50-6
SMILES
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C
InChIKey
KKRMNIFYBNHKGI-UHFFFAOYSA-N
InChI
InChI=1S/C30H54O13/c1-3-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-29-43-30-28-42-26-24-40-22-20-38-18-16-36-14-12-34-10-8-32-6-4-2/h1-2H,5-30H2

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Work with Bis-propargyl-peg13

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

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

Elsewhere

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