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Biotin-dPEG®11-MAL

CAT: 0926-DPG-5871Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-5871Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334172-60-9
Smiles
C1C2C (C (S1) CCCCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC (=O) CCN3C (=O) C=CC3=O) NC (=O) N2
Molecular Formula
C41H71N5O16S
Molecular Weight
922.09 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Biotin-PEG11-Mal
CAS Number1334172-60-9
PubChem CID77078443
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC41H71N5O16S
Molecular Weight922.1
XLogP-3
Topological Polar Surface Area264
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count44
Heavy Atom Count63
Formal Charge0
Complexity1270
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
InChI
InChI=1S/C41H71N5O16S/c47-36(4-2-1-3-35-40-34(33-63-35)44-41(51)45-40)42-8-11-52-13-15-54-17-19-56-21-23-58-25-27-60-29-31-62-32-30-61-28-26-59-24-22-57-20-18-55-16-14-53-12-9-43-37(48)7-10-46-38(49)5-6-39(46)50/h5-6,34-35,40H,1-4,7-33H2,(H,42,47)(H,43,48)(H2,44,45,51)/t34-,35-,40-/m0/s1
InChIKey
FMIDVLYXFRCQAD-BVCQTOFBSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG11-Mal
CAS: 1334172-60-9
CID: 77078443
Formula: C41H71N5O16S
MW: 922.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight922.1
XLogP3-3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count44
Exact Mass921.46165237
Monoisotopic Mass921.46165237
Topological Polar Surface Area264 Ų
Heavy Atom Count63
Formal Charge0
Complexity1270
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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