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Fmoc-2-Nal-OH

CAT: 0121-4017664.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4017664.0001Size:1 g
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CAS Number
112883-43-9
Specifications
B-2100.0001
Sequence
Fmoc-2-Nal-OH
Molecular Formula
C₂₈H₂₃NO₄
Molecular Weight
437.50
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic acid
CAS Number112883-43-9
PubChem CID2734452
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylpropanoic acid
Molecular FormulaC28H23NO4
Molecular Weight437.5
XLogP5.9
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity673
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H23NO4/c30-27(31)26(16-18-13-14-19-7-1-2-8-20(19)15-18)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
InChIKey
JYUTZJVERLGMQZ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(naphthalen-2-yl)propanoic acid
CAS: 112883-43-9
CID: 2734452
Formula: C28H23NO4
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass437.16270821
Monoisotopic Mass437.16270821
Topological Polar Surface Area75.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity673
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