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DL-Fmoc-Dap (Boc) -OH

CAT: 0127-OR1055100-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1055100-01Size:1 g
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CAS Number
130851-23-9
Purity
97%
Smiles
O=C(O)[CH](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CNC(OC(C)(C)C)=O

Chemical Information

2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoic acid
CAS Number130851-23-9
PubChem CID3605438
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC23H26N2O6
Molecular Weight426.5
XLogP3.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity639
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)
InChIKey
PKAUMAVONPSDRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoic acid
CAS: 130851-23-9
CID: 3605438
Formula: C23H26N2O6
MW: 426.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass426.17908655
Monoisotopic Mass426.17908655
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity639
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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