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FMOC-5-HYDROXY-L-TRYPTOPHAN

CAT: 1266-JH915948Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH915948Size:1 Each
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CAS Number
178119-94-3
Molecular Formula
C26H22N2O5
Molecular Weight
442.46

Chemical Information

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CAS Number178119-94-3
PubChem CID56924000
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Molecular FormulaC26H22N2O5
Molecular Weight442.5
XLogP4.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity695
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O
InChI
InChI=1S/C26H22N2O5/c29-16-9-10-23-21(12-16)15(13-27-23)11-24(25(30)31)28-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,27,29H,11,14H2,(H,28,32)(H,30,31)/t24-/m0/s1
InChIKey
LORJESUTFPMFAV-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CAS: 178119-94-3
CID: 56924000
Formula: C26H22N2O5
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP34.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass442.15287181
Monoisotopic Mass442.15287181
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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