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Boc-His (3-Bom) -OH

CAT: 0121-4006621.0025Size: 25 gDry Ice: NoHazardous: No
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CAT#:0121-4006621.0025Size:25 g
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CAS Number
79950-65-5
Specifications
A-1370.0025
Synonyms
Boc-His (π-Bom) -OH
Sequence
Boc-His (3-Bom) -OH
Molecular Formula
C₁₉H₂₅N₃O₅
Molecular Weight
375.43
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Boc-His(3-Bom)-OH

See also: Boc-L-Histidine(Benzyloxymethyl) (annotation moved to).

CAS Number79950-65-5
PubChem CID7023105
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid
Molecular FormulaC19H25N3O5
Molecular Weight375.4
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity488
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1COCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-20-12-22(15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m0/s1
InChIKey
LPVKZCHCZSFTOJ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Boc-His(3-Bom)-OH
CAS: 79950-65-5
CID: 7023105
Formula: C19H25N3O5
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass375.17942091
Monoisotopic Mass375.17942091
Topological Polar Surface Area103 Ų
Heavy Atom Count27
Formal Charge0
Complexity488
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

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