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Fmoc-Cys (Trt) -OPfp

CAT: 0121-4030624.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4030624.0005Size:5 g
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CAS Number
115520-21-3
Specifications
B-1120.0005
Sequence
Fmoc-Cys (Trt) -OPfp
Molecular Formula
C₄₃H₃₀F₅NO₄S
Molecular Weight
751.77
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Fmoc-Cys(Trt)-OPfp

See also: N-a-Fmoc-S-trityl-L-cystein pentafluorphenyl ester (annotation moved to).

CAS Number115520-21-3
PubChem CID11050947
IUPAC Name(2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate
Molecular FormulaC43H30F5NO4S
Molecular Weight751.8
XLogP10.4
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count54
Formal Charge0
Complexity1150
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C43H30F5NO4S/c44-35-36(45)38(47)40(39(48)37(35)46)53-41(50)34(49-42(51)52-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-54-43(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,49,51)/t34-/m0/s1
InChIKey
FDAUCYDVXIPBDR-UMSFTDKQSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Cys(Trt)-OPfp
CAS: 115520-21-3
CID: 11050947
Formula: C43H30F5NO4S
MW: 751.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight751.8
XLogP310.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass751.18157042
Monoisotopic Mass751.18157042
Topological Polar Surface Area89.9 Ų
Heavy Atom Count54
Formal Charge0
Complexity1150
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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