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Boc-D-4-Iodophenylalanine

CAT: 0572-TRC-B658948-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B658948-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
176199-35-2
Hazard Statement
Causes skin irritation
Smiles
CC(C)(C)OC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)O
Molecular Formula
C14 H18 I N O4
Molecular Weight
391.202
InChI
InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
Additionnal Information
IUPAC name: (2R)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Boc-4-iodo-D-phenylalanine
CAS Number176199-35-2
PubChem CID7020906
IUPAC Name(2R)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC14H18INO4
Molecular Weight391.20
XLogP2.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)I)C(=O)O
InChI
InChI=1S/C14H18INO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
JZLZDBGQWRBTHN-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Boc-4-iodo-D-phenylalanine
CAS: 176199-35-2
CID: 7020906
Formula: C14H18INO4
MW: 391.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.20
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass391.02806
Monoisotopic Mass391.02806
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
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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