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Fmoc-His (3-Bom) -OH

CAT: 0121-4027660.0001Size: 1 gDry Ice: NoHazardous: No
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CAS Number
84891-19-0
Specifications
B-2805.0001
Synonyms
Fmoc-His (π-Bom) -OH
Sequence
Fmoc-His (3-Bom) -OH
Molecular Formula
C₂₉H₂₇N₃O₅
Molecular Weight
497.55
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Fmoc-His(3-Bom)-OH

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CAS Number84891-19-0
PubChem CID56777366
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid
Molecular FormulaC29H27N3O5
Molecular Weight497.5
XLogP4.1
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity738
SMILES
C1=CC=C(C=C1)COCN2C=NC=C2C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H27N3O5/c33-28(34)27(14-21-15-30-18-32(21)19-36-16-20-8-2-1-3-9-20)31-29(35)37-17-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,15,18,26-27H,14,16-17,19H2,(H,31,35)(H,33,34)/t27-/m0/s1
InChIKey
CJBFCDKGOPEUOF-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of Fmoc-His(3-Bom)-OH
CAS: 84891-19-0
CID: 56777366
Formula: C29H27N3O5
MW: 497.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight497.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass497.19507097
Monoisotopic Mass497.19507097
Topological Polar Surface Area103 Ų
Heavy Atom Count37
Formal Charge0
Complexity738
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