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Fmoc-NH-ethyl-SS-propionic NHS ester

CAT: 0127-BIPG2409-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2409-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2128735-23-7
Purity
98%
Smiles
C1CC (=O) N (C1=O) OC (=O) CCSSCCNC (=O) OCC2C3=CC=CC=C3C4=CC=CC=C24

Chemical Information

Fmoc-NH-ethyl-SS-propionic NHS ester
CAS Number2128735-23-7
PubChem CID129627652
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyldisulfanyl]propanoate
Molecular FormulaC24H24N2O6S2
Molecular Weight500.6
XLogP2.7
Topological Polar Surface Area153
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity728
SMILES
C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H24N2O6S2/c27-21-9-10-22(28)26(21)32-23(29)11-13-33-34-14-12-25-24(30)31-15-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,20H,9-15H2,(H,25,30)
InChIKey
XTOJUNPXMJPADI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-ethyl-SS-propionic NHS ester
CAS: 2128735-23-7
CID: 129627652
Formula: C24H24N2O6S2
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass500.10757884
Monoisotopic Mass500.10757884
Topological Polar Surface Area153 Ų
Heavy Atom Count34
Formal Charge0
Complexity728
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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