chempirical

1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioate

C34H49NO12CAS 756526-02-0663.76 g/mol

Open in Covalent MOL file
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Carboxylic acidEther

Properties

Molecular formula
C34H49NO12
Molar mass
663.76 g/mol
Exact mass
663.3255 Da
logP
3.34Crippen estimate
Polar surface area
153.0 Ų
H-bond donors / acceptors
2 / 11
Rotatable bonds
29

Identifiers

CAS number
756526-02-0
SMILES
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
VYXGUCLTEWCVRY-UHFFFAOYSA-N
InChI
InChI=1S/C34H49NO12/c36-33(37)9-11-39-13-15-41-17-19-43-21-23-45-25-26-46-24-22-44-20-18-42-16-14-40-12-10-35-34(38)47-27-32-30-7-3-1-5-28(30)29-6-2-4-8-31(29)32/h1-8,32H,9-27H2,(H,35,38)(H,36,37)

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

Names and synonyms

2 names
  • 5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid, 1-(9H-fluoren-9-ylmethyl) ester
  • 1-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid

Work with 1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioate

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

1-(9H-Fluoren-9-ylmethyl) 5,8,11,14,17,20-hexaoxa-2-azatricosanedioate882847-34-9100 % similar 8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid166108-71-084 % similar Fmoc-gly-oh29022-11-567 % similar N′-Fmoc-L-lysine84624-28-256 % similar 1-(2-Propen-1-yl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate144120-54-754 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-453 % similar Fmoc-gamma-abu-oh116821-47-752 % similar (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenepentanoic acid269398-87-052 % similar

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

Elsewhere

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