Fmoc-bpa-oh

C31H25NO5CAS 117666-96-3491.54 g/mol

Open in Covalent MOL file
OOOHNHOO
CarbamateCarboxylic acidKetone

Properties

Molecular formula
C31H25NO5
Molar mass
491.54 g/mol
Exact mass
491.1733 Da
logP
5.45Crippen estimate
Polar surface area
92.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
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
117666-96-3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
SYOBJKCXNRQOGA-NDEPHWFRSA-N
InChI
InChI=1S/C31H25NO5/c33-29(21-8-2-1-3-9-21)22-16-14-20(15-17-22)18-28(30(34)35)32-31(36)37-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-17,27-28H,18-19H2,(H,32,36)(H,34,35)/t28-/m0/s1

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine117666-97-4Enantiomer

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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