Fmoc-asn(ac3acnh-beta-glc)-oh

C33H37N3O13CAS 131287-39-3683.67 g/mol

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ONHONHOOOHNHOOOOOOOO
AmideCarbamateCarboxylic acidEsterEther

Properties

Molecular formula
C33H37N3O13
Molar mass
683.67 g/mol
Exact mass
683.2326 Da
logP
1.14Crippen estimate
Polar surface area
222.0 Ų
H-bond donors / acceptors
4 / 12
Rotatable bonds
12
Stereocentres
R, R, S, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
131287-39-3
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C
InChIKey
QOACISSHGAAMLK-MJCYOTSPSA-N
InChI
InChI=1S/C33H37N3O13/c1-16(37)34-28-30(48-19(4)40)29(47-18(3)39)26(15-45-17(2)38)49-31(28)36-27(41)13-25(32(42)43)35-33(44)46-14-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-26,28-31H,13-15H2,1-4H3,(H,34,37)(H,35,44)(H,36,41)(H,42,43)/t25-,26+,28+,29+,30+,31+/m0/s1

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Names and synonyms

1 names
  • Fmoc-L-Asn(GlcNAc(Ac)3-beta)-OH

Work with Fmoc-asn(ac3acnh-beta-glc)-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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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