chempirical

Dbco-peg4-se

C34H39N3O10CAS 1427004-19-0649.70 g/mol

Open in Covalent MOL file
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AlkyneAmideEtherLactam

Properties

Molecular formula
C34H39N3O10
Molar mass
649.70 g/mol
Exact mass
649.2635 Da
logP
1.89Crippen estimate
Polar surface area
150.0 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
19

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
1427004-19-0
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChIKey
RRCXYKNJTKJNTD-UHFFFAOYSA-N
InChI
InChI=1S/C34H39N3O10/c38-30(11-12-31(39)36-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)36)35-16-18-44-20-22-46-24-23-45-21-19-43-17-15-34(42)47-37-32(40)13-14-33(37)41/h1-8H,11-25H2,(H,35,38)

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Names and synonyms

1 names
  • DBCO-PEG4-NHS ester

Work with Dbco-peg4-se

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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