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Galectin-8N-IN-1

CAT: 0607-BA5979-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5979-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2667628-25-1
Form
A solid
Molecular Formula
C22H22Cl2N2O7S
Molecular Weight
529.39
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Galectin-8N-IN-1
CAS Number2667628-25-1
PubChem CID164610940
IUPAC Name2-[[(2R,3R,4S,5S,6R)-2-(3,4-dichlorophenyl)sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxymethyl]-3-methylbenzimidazole-5-carboxylic acid
Molecular FormulaC22H22Cl2N2O7S
Molecular Weight529.4
XLogP2.7
Topological Polar Surface Area160
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity712
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)N=C1CO[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)SC4=CC(=C(C=C4)Cl)Cl)CO)O
InChI
InChI=1S/C22H22Cl2N2O7S/c1-26-15-6-10(21(30)31)2-5-14(15)25-17(26)9-32-20-18(28)16(8-27)33-22(19(20)29)34-11-3-4-12(23)13(24)7-11/h2-7,16,18-20,22,27-29H,8-9H2,1H3,(H,30,31)/t16-,18+,19-,20+,22-/m1/s1
InChIKey
FKJDXCHMRVVEIN-DIINWTLSSA-N
Chemical Structure
2D Structure
2D structure of Galectin-8N-IN-1
CAS: 2667628-25-1
CID: 164610940
Formula: C22H22Cl2N2O7S
MW: 529.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.4
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass528.0524776
Monoisotopic Mass528.0524776
Topological Polar Surface Area160 Ų
Heavy Atom Count34
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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