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Boc-Thr (tBu) -OH

CAT: 0121-4009568.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4009568.0001Size:1 g
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CAS Number
13734-40-2
Specifications
A-1440.0001
Sequence
Boc-Thr (tBu) -OH
Molecular Formula
C₁₃H₂₅NO₅
Molecular Weight
275.35
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

(2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid
CAS Number13734-40-2
PubChem CID7015770
IUPAC Name(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Molecular FormulaC13H25NO5
Molecular Weight275.34
XLogP1.8
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity327
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C13H25NO5/c1-8(18-12(2,3)4)9(10(15)16)14-11(17)19-13(5,6)7/h8-9H,1-7H3,(H,14,17)(H,15,16)/t8-,9+/m1/s1
InChIKey
LKRXXARJBFBMCE-BDAKNGLRSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-3-(tert-butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid
CAS: 13734-40-2
CID: 7015770
Formula: C13H25NO5
MW: 275.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.34
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass275.17327290
Monoisotopic Mass275.17327290
Topological Polar Surface Area84.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3847618-01Boc-Thr(tBu)-OH
HY-W011606-01Boc-Thr (tBu) -OH
5-06118Boc-D-Thr(tBu)-OH
A23038-25000Boc-Thr (tBu) -OH 25g
A23038-100000Boc-Thr (tBu) -OH 100g
5-06040Boc-Ser(Fmoc-Thr(tBu))-OH
RM-F131585-01Fmoc-Thr (Tbu) -Thr (Tbu) -Oh
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