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Dhurrin

CAT: 0931-TN1574-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1574-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
499-20-7
Target
Others
Related Pathways
Others
Bioactivity
Dhurrin is a natural product
Smiles
O([C@H](C#N)C1=CC=C(O)C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
Molecular Formula
C14H17NO7
Molecular Weight
311.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dhurrin

(S)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a nitrile, a beta-D-glucoside, a cyanogenic glycoside and a monosaccharide derivative. It is functionally related to a (S)-prunasin.

CAS Number499-20-7
PubChem CID161355
IUPAC Name(2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Molecular FormulaC14H17NO7
Molecular Weight311.29
XLogP-0.9
Topological Polar Surface Area143
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity403
SMILES
C1=CC(=CC=C1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1
InChIKey
NVLTYOJHPBMILU-YOVYLDAJSA-N
Chemical Structure
2D Structure
2D structure of Dhurrin
CAS: 499-20-7
CID: 161355
Formula: C14H17NO7
MW: 311.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.29
XLogP3-0.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass311.10050188
Monoisotopic Mass311.10050188
Topological Polar Surface Area143 Ų
Heavy Atom Count22
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-D06889-01Dhurrin

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