| Identification | Back Directory | [Name]
DHURRIN | [CAS]
499-20-7 | [Synonyms]
C05143
DHURRIN
DHURRIN(RG)
CYANOGLUCOSIDE
DHURRIN USP/EP/BP
Dhurrin >=95% (HPLC)
Highly unstable in solution
P-HYDROXYMANDELONITRILE-B-D-GLUCOSIDE
P-HYDROXYMANDELONITRILE-BETA-D-GLUCOSIDE
4-HYDROXYMANDELONITRILE-BETA-D-GLUCOSIDE
(S)-4-Hydroxymandelonitrile β-D-glucoside
(S)-4-Hydroxymandelonitrile beta-D-glucoside
(S)-(β-D-Glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
(S)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
(S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-4-hydroxy-, (αS)- | [EINECS(EC#)]
207-878-6 | [Molecular Formula]
C14H17NO7 | [MDL Number]
MFCD00075955 | [MOL File]
499-20-7.mol | [Molecular Weight]
311.29 |
| Chemical Properties | Back Directory | [Melting point ]
200°C (dec.) | [alpha ]
D20 -65° (alc) | [Boiling point ]
586.7±50.0 °C(Predicted) | [density ]
1.56±0.1 g/cm3(Predicted) | [storage temp. ]
room temp | [form ]
powder or crystals | [pka]
9.19±0.26(Predicted) | [color ]
white to light brown | [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 | [SMILES]
OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O || OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O | [LogP]
-1.650 (est) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [Safety Statements ]
22-45 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
Dhurrin is a cyanogenic glucoside produced by sorghum and is considered a natural defense compound producing hydrogen cyanide to deter animal herbivores. | [Definition]
ChEBI: (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 beta-D-glucoside, a nitrile, a cyanogenic glycoside and a monosaccharide derivative. It is functionally related to a (S)-prunasin. |
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