Products for Research Use Only
RegisterLogin

Dhurrin

CAT: 1299-RM-D082100-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-D082100-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
499-20-7
Synonyms
(S) -2- (4-hydroxyphenyl) -2- (((2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) acetonitrile
Molecular Formula
C14H17NO7
Molecular Weight
311.29
Target Alternative Name
Dhurrin
Product Name Synonym
(S) -2- (4-hydroxyphenyl) -2- (((2R,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) acetonitrile

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

Popular Products