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Sophorose (monohydrate)

CAT: 0804-HY-119445A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119445A-01Size:1 mg
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Description
Sophorose (2-O-beta-D-Glucopyranosyl-D-glucopyranose) monohydrate is the disaccharide component of microbial glycolipids, which are often used as biosurfactants due to their hydrophobicity. Sophorolipids also exhibit antibacterial, antifungal, spermicidal, virucidal, and anticancer activities. In studies of Trichoderma reesei fermentation, sophorose monohydrate has been identified as a potent inducer of cellulase gene expression[1].
CAS Number
140686-17-5
Product Name Alternative
2-O-beta-D-Glucopyranosyl-D-glucopyranose (monohydrate)
UNSPSC
12352200
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection; Others
Assay Protocol
https://www.medchemexpress.com/sophorose-monohydrate.html
Purity
99.92
Solubility
H2O : 125 mg/mL (ultrasonic)
Smiles
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO.O
Molecular Formula
C12H24O12
Molecular Weight
360.31
References & Citations
[1]Mandels M, et al. Sophorose as an inducer of cellulase in Trichoderma viride[J]. Journal of Bacteriology, 1962, 83 (2) : 400-408.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Sophorose monohydrate
CAS Number140686-17-5
PubChem CID90479496
IUPAC Name(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate
Molecular FormulaC12H24O12
Molecular Weight360.31
Topological Polar Surface Area198
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity367
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O.O
InChI
InChI=1S/C12H22O11.H2O/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12;/h2,4-13,15-21H,1,3H2;1H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-;/m1./s1
InChIKey
TVMMOAQPULJZGB-RVNRFXEQSA-N
Chemical Structure
2D Structure
2D structure of Sophorose monohydrate
CAS: 140686-17-5
CID: 90479496
Formula: C12H24O12
MW: 360.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.31
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass360.12677620
Monoisotopic Mass360.12677620
Topological Polar Surface Area198 Ų
Heavy Atom Count24
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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