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Fmoc-Asp(OtBu)-OH

CAT: 0607-A7862-100000Size: 100 gDry Ice: NoHazardous: No
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CAT#:0607-A7862-100000Size:100 g
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CAS Number
71989-14-5
Product Name Alternative
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Field of Research
Amino Acids & Building Blocks Fmoc-Amino Acids and Derivatives
Purity
0.9977
Smiles
CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Molecular Formula
C23H25NO6
Molecular Weight
411.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-tert-butyl hydrogen N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-aspartate
CAS Number71989-14-5
PubChem CID3085669
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Molecular FormulaC23H25NO6
Molecular Weight411.4
XLogP3.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity620
SMILES
CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)
InChIKey
FODJWPHPWBKDON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-tert-butyl hydrogen N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-aspartate
CAS: 71989-14-5
CID: 3085669
Formula: C23H25NO6
MW: 411.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass411.16818752
Monoisotopic Mass411.16818752
Topological Polar Surface Area102 Ų
Heavy Atom Count30
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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