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Fmoc-Asp (biotinyl-PEG) -OH

CAT: 0127-BIPG2094-01Size: 100 mgDry Ice: NoHazardous: No
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CAS Number
2241747-15-7
Purity
≥95%
Smiles
C1C2C (C (S1) CCCCC (=O) NCCCOCCOCCOCCCNC (=O) CC (C (=O) O) NC (=O) OCC3C4=CC=CC=C4C5=CC=CC=C35) NC (=O) N2

Chemical Information

Fmoc-Asp(biotinyl-PEG)-OH
CAS Number2241747-15-7
PubChem CID162420867
IUPAC Name(2S)-4-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Molecular FormulaC39H53N5O10S
Molecular Weight783.9
XLogP2.1
Topological Polar Surface Area228
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Heavy Atom Count55
Formal Charge0
Complexity1230
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)N2
InChI
InChI=1S/C39H53N5O10S/c45-34(14-6-5-13-33-36-32(25-55-33)42-38(49)44-36)40-15-7-17-51-19-21-53-22-20-52-18-8-16-41-35(46)23-31(37(47)48)43-39(50)54-24-30-28-11-3-1-9-26(28)27-10-2-4-12-29(27)30/h1-4,9-12,30-33,36H,5-8,13-25H2,(H,40,45)(H,41,46)(H,43,50)(H,47,48)(H2,42,44,49)/t31-,32-,33-,36-/m0/s1
InChIKey
NSWZRMACVXOYNL-RKNDVXSYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Asp(biotinyl-PEG)-OH
CAS: 2241747-15-7
CID: 162420867
Formula: C39H53N5O10S
MW: 783.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight783.9
XLogP32.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count26
Exact Mass783.35131408
Monoisotopic Mass783.35131408
Topological Polar Surface Area228 Ų
Heavy Atom Count55
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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