Fmoc-9-amino-4,7-dioxanonanoic acid

C₂₂H₂₅NO₆CAS 872679-70-4399.44 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₂H₂₅NO₆
Molar mass: 399.44 g/mol
Exact mass: 399.1682 Da
logP: 3.03Crippen estimate
Polar surface area: 94.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 11

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

872679-70-4

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCC(=O)O

InChIKey

QWHLFJJLRVOHTM-UHFFFAOYSA-N

InChI

InChI=1S/C22H25NO6/c24-21(25)9-11-27-13-14-28-12-10-23-22(26)29-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,23,26)(H,24,25)

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Names and synonyms

1 names

3-(2-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethoxy)ethoxy)propanoic acid

Work with Fmoc-9-amino-4,7-dioxanonanoic acid

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

Fmoc-N-amido-peg24-acid2170484-59-8100 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-1100 % similar Fmoc-nh-peg12-ch2ch2cooh756526-01-9100 % similar Fmoc-12-amino-4,7,10-trioxadodecanoic acid867062-95-1100 % similar Fmoc-N-amido-peg1-acid1654740-73-498 % similar Fmoc-NH-PEG4-CH2COOH437655-95-383 % similar Fmoc-nh-8(ethylene glycol)-acetic acid868594-52-983 % similar Fmoc-B-ala-oh35737-10-180 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylmethyl 2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-α-D-glucopyranoside13343-63-0 (4S,5R)-3-tert-Butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid196404-55-4 Colchicine64-86-8

Elsewhere

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