Fmoc-ser(galnac(ac)3-alpha-D)-oh

C₃₂H₃₆N₂O₁₃CAS 120173-57-1656.64 g/mol

Open in Covalent MOL file

Acetal Amide Carbamate Carboxylic acid Ester Ether

Properties

Molecular formula: C₃₂H₃₆N₂O₁₃
Molar mass: 656.64 g/mol
Exact mass: 656.2217 Da
logP: 1.65Crippen estimate
Polar surface area: 202.1 Å²
H-bond donors / acceptors: 3 / 12
Rotatable bonds: 12
Stereocentres: R, R, R, R, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H351 Suspected of causing cancer100% of notifiers

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

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

120173-57-1

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C

InChIKey

ORICVOOXZDVFIP-VOZJJELXSA-N

InChI

InChI=1S/C32H36N2O13/c1-16(35)33-27-29(46-19(4)38)28(45-18(3)37)26(15-42-17(2)36)47-31(27)43-14-25(30(39)40)34-32(41)44-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-29,31H,13-15H2,1-4H3,(H,33,35)(H,34,41)(H,39,40)/t25-,26+,27+,28-,29+,31-/m0/s1

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Names and synonyms

1 names

Fmoc-L-Ser(alpha-D-GalNAc(Ac)3)-OH

Work with Fmoc-ser(galnac(ac)3-alpha-D)-oh

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-thr(galnac(ac)3-alpha-D)-oh116783-35-876 % similar Fmoc-asn(ac3acnh-beta-glc)-oh131287-39-375 % similar D-Galactosamine pentaacetate76375-60-554 % similar Fmoc-lys(ac)-OH159766-56-053 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-551 % similar Fmoc-D-abu-oh170642-27-051 % similar Fmoc-dap(fmoc)-oh201473-90-751 % similar Fmoc-L-norvaline135112-28-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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