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NHS-dPEG®4 Biotin

CAT: 0926-DPG-5701-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-5701-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
459426-22-3
Smiles
C1CC (=O) N (C1=O) OC (=O) CCOCCOCCOCCOCCNC (=O) CCCCC2C3C (CS2) NC (=O) N3
Molecular Weight
588.67 g/mol
Controlled
No

Chemical Information

Biotin-PEG4-NHS ester
CAS Number459426-22-3
PubChem CID59046443
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 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]propanoate
Molecular FormulaC25H40N4O10S
Molecular Weight588.7
XLogP-1.6
Topological Polar Surface Area196
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Heavy Atom Count40
Formal Charge0
Complexity847
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C25H40N4O10S/c30-20(4-2-1-3-19-24-18(17-40-19)27-25(34)28-24)26-8-10-36-12-14-38-16-15-37-13-11-35-9-7-23(33)39-29-21(31)5-6-22(29)32/h18-19,24H,1-17H2,(H,26,30)(H2,27,28,34)/t18-,19-,24-/m0/s1
InChIKey
DTLVBHCSSNJCMJ-JXQFQVJHSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-NHS ester
CAS: 459426-22-3
CID: 59046443
Formula: C25H40N4O10S
MW: 588.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.7
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count22
Exact Mass588.24651466
Monoisotopic Mass588.24651466
Topological Polar Surface Area196 Ų
Heavy Atom Count40
Formal Charge0
Complexity847
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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