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Boc-His(Tos)-ol

CAT: 0607-A6596-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-A6596-1000Size:1 g
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CAS Number
1169760-85-3
Product Name Alternative
(S,E)-tert-butyl hydrogen (1-hydroxy-3-(1-tosyl-1H-imidazol-4-yl)propan-2-yl)carbonimidate
Purity
0.98
Smiles
CC1=CC=C(S(N(C=N2)C=C2C[C@@](/N=C(OC(C)(C)C)\O)([H])CO)(=O)=O)C=C1
Molecular Formula
C18H25N3O5S
Molecular Weight
395.47
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

boc-Histidinol(tos)
CAS Number1169760-85-3
PubChem CID122173579
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propan-2-yl]carbamate
Molecular FormulaC18H25N3O5S
Molecular Weight395.5
XLogP2
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity591
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H25N3O5S/c1-13-5-7-16(8-6-13)27(24,25)21-10-14(19-12-21)9-15(11-22)20-17(23)26-18(2,3)4/h5-8,10,12,15,22H,9,11H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKey
AEWHAXIIURXGRI-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of boc-Histidinol(tos)
CAS: 1169760-85-3
CID: 122173579
Formula: C18H25N3O5S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass395.15149208
Monoisotopic Mass395.15149208
Topological Polar Surface Area119 Ų
Heavy Atom Count27
Formal Charge0
Complexity591
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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Alternative Products

CatalogName
2109-01Boc-His (Tos)
5-05817Boc-His(Tos)-OH
sc-234164Boc-His (Tos) -OH
5-05842Boc-D-His(Tos)-OH
TRC-B391815-5GBoc-L-His(Tos)-OH
A-2325.0025Boc-His(1-Tos)-OH
264122-01Boc-L-His (Tos) -OH
abx186052-01Boc-His(Tos)-Merrifield Resin
sc-293741Boc-D-His (Tos) -OH
5-05819Boc-His(Tos)-OH·DCHA

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