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18:1 Biotinyl PE

CAT: 0127-BIPG2348Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2348Size:25 mg
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CAS Number
384835-53-4
Purity
98%
Smiles
CCCCCCCCC=CCCCCCCCC (=O) OCC (COP (=O) (O) OCCNC (=O) CCCCC1C2C (CS1) NC (=O) N2) OC (=O) CCCCCCCC=CCCCCCCCC.[Na]

Chemical Information

9-Octadecenoic acid (9Z)-, (1R)-1-(12-((3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl)-1,2-ethanediyl ester, sodium salt (1:1)
CAS Number384835-53-4
PubChem CID156593867
Molecular FormulaC51H92N3NaO10PS
Molecular Weight993.3
Topological Polar Surface Area204
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count47
Heavy Atom Count67
Formal Charge0
Complexity1390
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na]
InChI
InChI=1S/C51H92N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-48(56)61-41-44(64-49(57)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-63-65(59,60)62-40-39-52-47(55)36-34-33-35-46-50-45(43-66-46)53-51(58)54-50;/h17-20,44-46,50H,3-16,21-43H2,1-2H3,(H,52,55)(H,59,60)(H2,53,54,58);/b19-17-,20-18-;/t44-,45+,46+,50+;/m1./s1
InChIKey
BQZBJHZLJJOUSL-AOAFAMOJSA-N
Chemical Structure
2D Structure
2D structure of 9-Octadecenoic acid (9Z)-, (1R)-1-(12-((3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl)-1,2-ethanediyl ester, sodium salt (1:1)
CAS: 384835-53-4
CID: 156593867
Formula: C51H92N3NaO10PS
MW: 993.3
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight993.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count47
Exact Mass992.61387359
Monoisotopic Mass992.61387359
Topological Polar Surface Area204 Ų
Heavy Atom Count67
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes