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Fmoc-Cys(Trt)-ol

CAT: 0607-A6600-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-A6600-5000Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
215954-72-6
Product Name Alternative
(R,E)-(9H-fluoren-9-yl)methyl hydrogen (1-hydroxy-3-(tritylthio)propan-2-yl)carbonimidate
Purity
0.9871
Form
A solid
Solubility
≥57.2 mg/mL in DMSO; insoluble in H2O; ≥2.37 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
OC[C@](/N=C(OCC1C2=CC=CC=C2C3=CC=CC=C31)\O)([H])CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Molecular Formula
C37H33NO3S
Molecular Weight
571.73
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Fmoc-Cysteinol(Trt)
CAS Number215954-72-6
PubChem CID10918846
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-3-tritylsulfanylpropan-2-yl]carbamate
Molecular FormulaC37H33NO3S
Molecular Weight571.7
XLogP7.8
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity765
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](CO)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C37H33NO3S/c39-24-30(38-36(40)41-25-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35)26-42-37(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,30,35,39H,24-26H2,(H,38,40)/t30-/m1/s1
InChIKey
ZWYUUFZRZOWREN-SSEXGKCCSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Cysteinol(Trt)
CAS: 215954-72-6
CID: 10918846
Formula: C37H33NO3S
MW: 571.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.7
XLogP37.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass571.21811509
Monoisotopic Mass571.21811509
Topological Polar Surface Area83.9 Ų
Heavy Atom Count42
Formal Charge0
Complexity765
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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