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Biotin-PEG6-alcohol

CAT: 0127-BIPG1206-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1206-01Size:50 mg
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CAS Number
906099-89-6
MDL Number
MFCD26142990
Purity
98%
Smiles
OCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

Chemical Information

Biotin-PEG6-alcohol
CAS Number906099-89-6
PubChem CID91757818
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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC22H41N3O8S
Molecular Weight507.6
XLogP-1.3
Topological Polar Surface Area162
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count34
Formal Charge0
Complexity560
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCO)NC(=O)N2
InChI
InChI=1S/C22H41N3O8S/c26-6-8-30-10-12-32-14-16-33-15-13-31-11-9-29-7-5-23-20(27)4-2-1-3-19-21-18(17-34-19)24-22(28)25-21/h18-19,21,26H,1-17H2,(H,23,27)(H2,24,25,28)/t18-,19-,21-/m0/s1
InChIKey
UWCUGLZFTQXZRR-ZJOUEHCJSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG6-alcohol
CAS: 906099-89-6
CID: 91757818
Formula: C22H41N3O8S
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP3-1.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass507.26143645
Monoisotopic Mass507.26143645
Topological Polar Surface Area162 Ų
Heavy Atom Count34
Formal Charge0
Complexity560
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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