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Biotin-PEG3-oxyamine

CAT: 0926-LWC20622-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-LWC20622-01Size:100 mg
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CAS Number
1786206-22-1
MDL Number
MFCD27952892
Smiles
C1C2C (C (S1) CCCCC (=O) NCCOCCOCCOCCON) NC (=O) N2
Molecular Formula
C18H34N4O6S
Molecular Weight
434.6 g/mol
Controlled
No

Chemical Information

Biotin-PEG3-oxyamine
CAS Number1786206-22-1
PubChem CID102565393
IUPAC NameN-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
Molecular FormulaC18H34N4O6S
Molecular Weight434.6
XLogP-1.3
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count29
Formal Charge0
Complexity487
SMILES
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCON)NC(=O)N2
InChI
InChI=1S/C18H34N4O6S/c19-28-12-11-27-10-9-26-8-7-25-6-5-20-16(23)4-2-1-3-15-17-14(13-29-15)21-18(24)22-17/h14-15,17H,1-13,19H2,(H,20,23)(H2,21,22,24)
InChIKey
OLCOSDGJNTXSBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG3-oxyamine
CAS: 1786206-22-1
CID: 102565393
Formula: C18H34N4O6S
MW: 434.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight434.6
XLogP3-1.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass434.21990599
Monoisotopic Mass434.21990599
Topological Polar Surface Area158 Ų
Heavy Atom Count29
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes