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

Carboxylic acid Ether

Properties

Molecular formula: C₃₄H₄₉NO₁₂
Molar mass: 663.76 g/mol
Exact mass: 663.3255 Da
logP: 3.34Crippen estimate
Polar surface area: 153.0 Å²
H-bond donors / acceptors: 2 / 11
Rotatable bonds: 29

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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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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 Fmoc-N-amido-peg24-acid2170484-59-865 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-165 % similar Fmoc-nh-peg12-ch2ch2cooh756526-01-965 % similar Fmoc-12-amino-4,7,10-trioxadodecanoic acid867062-95-165 % similar Fmoc-9-amino-4,7-dioxanonanoic acid872679-70-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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