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Fmoc-Tyr(tBu)-ol

CAT: 0607-A6579-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-A6579-5000Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
187526-99-4
Product Name Alternative
(S,E)-(9H-fluoren-9-yl)methyl hydrogen (1-(4-(tert-butoxy)phenyl)-3-hydroxypropan-2-yl)carbonimidate
Purity
0.98
Smiles
CC(C)(OC1=CC=C(C[C@@](/N=C(OCC2C3=CC=CC=C3C4=CC=CC=C42)\O)([H])CO)C=C1)C
Molecular Formula
C28H31NO4
Molecular Weight
445.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

fmoc-Tyrosinol(tbu)
CAS Number187526-99-4
PubChem CID6977259
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]carbamate
Molecular FormulaC28H31NO4
Molecular Weight445.5
XLogP5.4
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity602
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@@H](CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H31NO4/c1-28(2,3)33-21-14-12-19(13-15-21)16-20(17-30)29-27(31)32-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,20,26,30H,16-18H2,1-3H3,(H,29,31)/t20-/m0/s1
InChIKey
OCTLGTZNAJNVHZ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of fmoc-Tyrosinol(tbu)
CAS: 187526-99-4
CID: 6977259
Formula: C28H31NO4
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass445.22530847
Monoisotopic Mass445.22530847
Topological Polar Surface Area67.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity602
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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