chempirical

Mal-peg8-nhs ester

C27H42N2O14CAS 2055033-05-9618.63 g/mol

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AlkeneAmideEtherLactam

Properties

Molecular formula
C27H42N2O14
Molar mass
618.63 g/mol
Exact mass
618.2636 Da
logP
-0.96Crippen estimate
Polar surface area
174.9 Ų
H-bond donors / acceptors
0 / 14
Rotatable bonds
28

Identifiers

CAS number
2055033-05-9
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChIKey
JJKBMZPIICCZSX-UHFFFAOYSA-N
InChI
InChI=1S/C27H42N2O14/c30-23-1-2-24(31)28(23)6-8-36-10-12-38-14-16-40-18-20-42-22-21-41-19-17-39-15-13-37-11-9-35-7-5-27(34)43-29-25(32)3-4-26(29)33/h1-2H,3-22H2

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Work with Mal-peg8-nhs ester

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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