chempirical

endo-Bcn-peg8-nhs ester

C34H54N2O14CAS 1608140-48-2714.81 g/mol

Open in Covalent MOL file
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AlkyneAmideCarbamateEtherLactam

Properties

Molecular formula
C34H54N2O14
Molar mass
714.81 g/mol
Exact mass
714.3575 Da
logP
1.28Crippen estimate
Polar surface area
175.9 Ų
H-bond donors / acceptors
1 / 14
Rotatable bonds
30
Stereocentres
R, Sin 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
1608140-48-2
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1
InChIKey
GQCGVDZQAWQNHI-BWMKXQIXSA-N
InChI
InChI=1S/C34H54N2O14/c37-31-7-8-32(38)36(31)50-33(39)9-11-41-13-15-43-17-19-45-21-23-47-25-26-48-24-22-46-20-18-44-16-14-42-12-10-35-34(40)49-27-30-28-5-3-1-2-4-6-29(28)30/h28-30H,3-27H2,(H,35,40)/t28-,29+,30?

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with endo-Bcn-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

endo-Bcn-peg3-acid1807501-82-164 % similar Bis-pe21- nhs ester1008402-79-650 % similar Bis(nhs)peg5756526-03-150 % similar Biotin-PEG8-NHS ester2143968-03-842 % similar 2,5-Dioxo-1-pyrrolidinyl 3-[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]propanoate1433997-01-340 % similar Mal-peg8-nhs ester2055033-05-940 % similar Boc-beta-ala-osu32703-87-040 % similar Dbco-peg4-se1427004-19-040 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook