chempirical

Biotin-PEG8-NHS ester

C33H56N4O14SCAS 2143968-03-8764.89 g/mol

Open in Covalent MOL file
ONOOOOOOOOOOONHOSNHOHN
AmideEtherLactamSulfideUrea

Properties

Molecular formula
C33H56N4O14S
Molar mass
764.89 g/mol
Exact mass
764.3514 Da
logP
-0.04Crippen estimate
Polar surface area
207.8 Ų
H-bond donors / acceptors
3 / 15
Rotatable bonds
33
Stereocentres
S, S, 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
2143968-03-8
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChIKey
YCGZDGOCJORRHA-IUEKTVKYSA-N
InChI
InChI=1S/C33H56N4O14S/c38-28(4-2-1-3-27-32-26(25-52-27)35-33(42)36-32)34-8-10-44-12-14-46-16-18-48-20-22-50-24-23-49-21-19-47-17-15-45-13-11-43-9-7-31(41)51-37-29(39)5-6-30(37)40/h26-27,32H,1-25H2,(H,34,38)(H2,35,36,42)/t26-,27-,32-/m0/s1

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Names and synonyms

1 names
  • (+)-Biotin-peg8-nhs ester

Work with Biotin-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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