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Fmoc-Asn (Dod) -OH

CAT: 0024-sc-223991Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-223991Size:1 g
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CAS Number
113534-16-0

Chemical Information

Fmoc-Asn(Dod)-OH
CAS Number113534-16-0
PubChem CID14187535
IUPAC Name(2S)-4-[bis(4-methoxyphenyl)methylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Molecular FormulaC34H32N2O7
Molecular Weight580.6
XLogP5.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity884
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C34H32N2O7/c1-41-23-15-11-21(12-16-23)32(22-13-17-24(42-2)18-14-22)36-31(37)19-30(33(38)39)35-34(40)43-20-29-27-9-5-3-7-25(27)26-8-4-6-10-28(26)29/h3-18,29-30,32H,19-20H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)/t30-/m0/s1
InChIKey
NUINEVHFMAGARJ-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Asn(Dod)-OH
CAS: 113534-16-0
CID: 14187535
Formula: C34H32N2O7
MW: 580.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight580.6
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass580.22095136
Monoisotopic Mass580.22095136
Topological Polar Surface Area123 Ų
Heavy Atom Count43
Formal Charge0
Complexity884
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