endo-Bcn-peg3-acid

C20H31NO7CAS 1807501-82-1397.47 g/mol

Open in Covalent MOL file
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AlkyneCarbamateCarboxylic acidEther

Properties

Molecular formula
C20H31NO7
Molar mass
397.47 g/mol
Exact mass
397.2101 Da
logP
1.68Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
14

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
1807501-82-1
SMILES
C1CC2C(C2COC(=O)NCCOCCOCCOCCC(=O)O)CCC#C1
InChIKey
NRDCHHRLBMBFHZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H31NO7/c22-19(23)7-9-25-11-13-27-14-12-26-10-8-21-20(24)28-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,21,24)(H,22,23)

Weigh it out

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Work with endo-Bcn-peg3-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

endo-Bcn-peg8-nhs ester1608140-48-264 % similar Fmoc-N-amido-peg24-acid2170484-59-855 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-155 % similar Fmoc-nh-peg12-ch2ch2cooh756526-01-955 % similar Fmoc-12-amino-4,7,10-trioxadodecanoic acid867062-95-155 % similar Fmoc-9-amino-4,7-dioxanonanoic acid872679-70-455 % similar Fmoc-N-amido-peg1-acid1654740-73-453 % similar 21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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