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Bis-dPEG®29-Acid

CAT: 0926-DPG-6013-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-6013-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1260247-51-5
Smiles
C1CC (=O) N (C1=O) OC (=O) CCSSCCNC (=O) CCOCCOCCOCCOCCNC (=O) CCCCC2C3C (CS2) NC (=O) N3
Molecular Formula
C30H49N5O11S3
Molecular Weight
751.94 g/mol
Controlled
No

Chemical Information

Biotin-PEG4-S-S-NHS
CAS Number1260247-51-5
PubChem CID77078185
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyldisulfanyl]propanoate
Molecular FormulaC30H49N5O11S3
Molecular Weight751.9
XLogP-1.6
Topological Polar Surface Area276
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Heavy Atom Count49
Formal Charge0
Complexity1060
SMILES
C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C30H49N5O11S3/c36-24(4-2-1-3-23-29-22(21-47-23)33-30(41)34-29)31-9-12-43-14-16-45-18-17-44-15-13-42-11-7-25(37)32-10-20-49-48-19-8-28(40)46-35-26(38)5-6-27(35)39/h22-23,29H,1-21H2,(H,31,36)(H,32,37)(H2,33,34,41)/t22-,23-,29-/m0/s1
InChIKey
QEVJWOMRMWJABZ-BOSRLCDASA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-S-S-NHS
CAS: 1260247-51-5
CID: 77078185
Formula: C30H49N5O11S3
MW: 751.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight751.9
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Exact Mass751.25907092
Monoisotopic Mass751.25907092
Topological Polar Surface Area276 Ų
Heavy Atom Count49
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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