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Boc-D-Cys(Bzl)-ol

CAT: 0607-A6603-100000Size: 100 gDry Ice: NoHazardous: No
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CAT#:0607-A6603-100000Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
198470-16-5
Product Name Alternative
(S,E)-tert-butyl hydrogen (1-(benzylthio)-3-hydroxypropan-2-yl)carbonimidate
Purity
0.98
Smiles
CC(C)(O/C(O)=N/[C@@](CSCC1=CC=CC=C1)([H])CO)C
Molecular Formula
C15H23NO3S
Molecular Weight
297.41
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Boc-D-cys(bzl)-OL
CAS Number198470-16-5
PubChem CID51340400
IUPAC Nametert-butyl N-[(2S)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
Molecular FormulaC15H23NO3S
Molecular Weight297.4
XLogP2.5
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity285
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)CSCC1=CC=CC=C1
InChI
InChI=1S/C15H23NO3S/c1-15(2,3)19-14(18)16-13(9-17)11-20-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKey
MEZQRZMTIJTPIY-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Boc-D-cys(bzl)-OL
CAS: 198470-16-5
CID: 51340400
Formula: C15H23NO3S
MW: 297.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass297.13986477
Monoisotopic Mass297.13986477
Topological Polar Surface Area83.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity285
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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