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Driselase

CAT: 1489-C8100-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-C8100-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85186-71-6
Purity
Protein approx.10% by Biuret

Chemical Information

Enzymes, com., Driselase
CAS Number85186-71-6
PubChem CID168010183
IUPAC Name2-[4,16-bis(benzenesulfonyl)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-11-methyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
Molecular FormulaC63H78O6S2
Molecular Weight995.4
XLogP16.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Heavy Atom Count71
Formal Charge0
Complexity2340
SMILES
CC(=CCCC(=CCCC(=CCC(C(=CCCC(=CCCC(=CCC(C(=CCC12C3CC(C1(C(=O)C4=CC=CC=C4C2=O)C)C=C3)C)S(=O)(=O)C5=CC=CC=C5)C)C)C)S(=O)(=O)C6=CC=CC=C6)C)C)C
InChI
InChI=1S/C63H78O6S2/c1-45(2)22-18-23-46(3)24-19-26-48(5)36-40-58(70(66,67)54-30-12-10-13-31-54)50(7)29-21-28-47(4)25-20-27-49(6)37-41-59(71(68,69)55-32-14-11-15-33-55)51(8)42-43-63-53-39-38-52(44-53)62(63,9)60(64)56-34-16-17-35-57(56)61(63)65/h10-17,22,24-25,29-39,42,52-53,58-59H,18-21,23,26-28,40-41,43-44H2,1-9H3
InChIKey
DCOQAGJHKBSTAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enzymes, com., Driselase
CAS: 85186-71-6
CID: 168010183
Formula: C63H78O6S2
MW: 995.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight995.4
XLogP316.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Exact Mass994.52398255
Monoisotopic Mass994.52398255
Topological Polar Surface Area119 Ų
Heavy Atom Count71
Formal Charge0
Complexity2340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count6
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes