(2R,3R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(2-methoxyphenyl)propanoic acid

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Basic information

CAS: 1217836-38-8
Standard SMILES: COc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)C(=O)O
InChIKey: DNZIXULKIJUDJI-DHIUTWEWSA-N
Molecular formula: C25H23NO6
Average molar mass: 433.5 g/mol
Monoisotopic mass: 433.15253745

Names & identifiers

Preferred name: (2R,3R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(2-methoxyphenyl)propanoic acid
IUPAC: (2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(2-methoxyphenyl)propanoic acid
English name: N-(9H-Fluoren-9-yl)MethOxy]Carbonyl (2R,3R)-3-Amino-2-hydroxy-3-(2-methoxy-phenyl)propionic acid
Molecular formula: C25H23NO6
Molecular weight: 433.45

Names & synonyms

1217836-38-8(2R,3R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(2-methoxyphenyl)propanoic acidMFCD07363636N-Fmoc-(2R,3R)-3-Amino-2-hydroxy-3-(2-methoxy-phenyl)-propionic acid(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(2-methoxyphenyl)propanoic acid(2R,3R)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-hydroxy-3-(2-methoxyphenyl)propanoic acidDTXSID70654610(2R,3R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(2-methoxyphenyl)propanoicacidN-(9H-Fluoren-9-yl)MethOxy]Carbonyl (2R,3R)-3-Amino-2-hydroxy-3-(2-methoxy-phenyl)propionic acidBenzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-2-methoxy-, (αR,βR)-rel-

Database identifiers

CAS: 1217836-38-8
PubChem CID: 40787403
DTXSID: DTXSID70654610

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 105 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 634

Physicochemical properties

Boiling point: 692.819 · 692.819±55.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.331 · 1.331±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 2 · 2-8°C
pka: 3.528 · 3.528±0.22(predicted)

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Compound notes

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