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Gal[2346Bn]-β-SPh

CAT: 0804-HY-W145621-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W145621-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gal[2346Bn]-β-SPh is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
74801-29-9
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gal-2346bn-β-sph.html
Solubility
10 mM in DMSO
Smiles
C1(CO[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2OCC3=CC=CC=C3)COCC4=CC=CC=C4)SC5=CC=CC=C5)OCC6=CC=CC=C6)=CC=CC=C1
Molecular Formula
C40H40O5S
Molecular Weight
632.81
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

(2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran
CAS Number74801-29-9
PubChem CID11104159
IUPAC Name(2R,3S,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
Molecular FormulaC40H40O5S
Molecular Weight632.8
XLogP7.9
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count46
Formal Charge0
Complexity797
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C40H40O5S/c1-6-16-31(17-7-1)26-41-30-36-37(42-27-32-18-8-2-9-19-32)38(43-28-33-20-10-3-11-21-33)39(44-29-34-22-12-4-13-23-34)40(45-36)46-35-24-14-5-15-25-35/h1-25,36-40H,26-30H2/t36-,37+,38+,39-,40+/m1/s1
InChIKey
IKCMSYGNAFDJNX-PLLMGOPLSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran
CAS: 74801-29-9
CID: 11104159
Formula: C40H40O5S
MW: 632.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.8
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass632.25964555
Monoisotopic Mass632.25964555
Topological Polar Surface Area71.5 Ų
Heavy Atom Count46
Formal Charge0
Complexity797
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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