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H-Tyr-OtBu

CAT: 0121-4001023.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4001023.0005Size:5 g
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CAS Number
16874-12-7
Specifications
E-2535.0005
Sequence
H-Tyr-OtBu
Molecular Formula
C₁₃H₁₉NO₃
Molecular Weight
237.30
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

L-Tyrosine 1,1-dimethylethyl ester
CAS Number16874-12-7
PubChem CID6950582
IUPAC Nametert-butyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC13H19NO3
Molecular Weight237.29
XLogP1.3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity252
SMILES
CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3/t11-/m0/s1
InChIKey
DIGHFXIWRPMGSA-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of L-Tyrosine 1,1-dimethylethyl ester
CAS: 16874-12-7
CID: 6950582
Formula: C13H19NO3
MW: 237.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight237.29
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass237.13649347
Monoisotopic Mass237.13649347
Topological Polar Surface Area72.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity252
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