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Fmoc-Pen (Trt) -OH

CAT: 0121-4019778.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4019778.0005Size:5 g
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CAS Number
201531-88-6
Specifications
B-2315.0005
Synonyms
Fmoc-β, β-dimethyl-Cys (Trt) -OH
Sequence
Fmoc-Pen (Trt) -OH
Molecular Formula
C₃₉H₃₅NO₄S
Molecular Weight
613.78
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Fmoc-Pen(Trt)-OH
CAS Number201531-88-6
PubChem CID44593786
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-tritylsulfanylbutanoic acid
Molecular FormulaC39H35NO4S
Molecular Weight613.8
XLogP8.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity914
SMILES
CC(C)([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C39H35NO4S/c1-38(2,45-39(27-16-6-3-7-17-27,28-18-8-4-9-19-28)29-20-10-5-11-21-29)35(36(41)42)40-37(43)44-26-34-32-24-14-12-22-30(32)31-23-13-15-25-33(31)34/h3-25,34-35H,26H2,1-2H3,(H,40,43)(H,41,42)/t35-/m1/s1
InChIKey
XSGMGAINOILNJR-PGUFJCEWSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Pen(Trt)-OH
CAS: 201531-88-6
CID: 44593786
Formula: C39H35NO4S
MW: 613.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.8
XLogP38.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass613.22867977
Monoisotopic Mass613.22867977
Topological Polar Surface Area101 Ų
Heavy Atom Count45
Formal Charge0
Complexity914
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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5-05189Fmoc-Pen(Trt)-OH
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FF111689-01Fmoc-Pen (Trt) -Wang resin (200-400 mesh)
5-05187Boc-Pen(Trt)-OH
FF111688-01Fmoc-D-Pen (Trt) -Wang resin (200-400 mesh)
5-05197Boc-D-Pen(Trt)-OH
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