CAS No.10338-51-9,Salidroside Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10338-51-9
Name:	Salidroside
Article Data:	25

Formula:	C₁₄H₂₀O₇
Molecular Weight:	300.309
Synonyms:	Rhodiola roseal.P.E;b-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl;Glucopyranoside,p-hydroxyphenethyl (7CI);Salidroside (8CI);2-(4-Hydroxyphenyl)ethyl-b-D-glucopyranoside;4-Hydroxy-phenyl-2-ethyl-b-D-glucopyranoside;Rhodioloside;Rhodosin;Tyrosol a-(b-D-glucopyranoside);
EINECS:	306-819-2
Density:	1.46 g/cm³
Melting Point:	159～160℃
Boiling Point:	549.5 °C at 760 mmHg
Flash Point:	286.2 °C
Appearance:	Red-brown fine powder
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	119.61000
LogP:	-1.24880

Synthetic route

: 28251-63-0
tetraacetyl salidroside

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With methanol; potassium carbonate	100%
With sodium methylate In methanol at 20℃; for 2h;	89.8%
With sodium methylate In methanol for 12h;	80%
With methanol; sodium methylate at 20℃; for 24h; Large scale reaction;	3.83 kg

: 39032-08-1
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-acetoxyphenethoxy)tetrahydro-2Hpyran-3,4,5-triyl triacetate

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With sodium methylate In methanol for 1h; Ambient temperature;	97.7%
With sodium methylate In methanol at 4℃;	90%
With strongly acidic cation exchange resin 717 In ethanol at 70℃;	86.5%

: 492-61-5
β-D-glucose

: 501-94-0
p-hydroxyphenethyl alcohol

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With E.coli (BLPad-StyAB-RostyC-SlPAR1-UGT85A1) In aq. phosphate buffer at 37℃; for 12h; pH=7.0; Reagent/catalyst; Enzymatic reaction;	94.9%
With β-glycosidase from black plum seeds; 1-octyl-3-methylimidazolium hexafluorophosphate In 1,4-dioxane; aq. phosphate buffer at 50℃; for 72h; pH=5.9; Kinetics; Reagent/catalyst; Solvent; pH-value; Enzymatic reaction;	24.3%
With Prunus domestica prune seed meal at 50℃; for 72h; pH=6; aq. phosphate buffer; Ionic liquid; Enzymatic reaction;	22%

: 183209-56-5
2-(4-benzyloxyphenyl)ethyl β-D-glucopyranoside

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In methanol at 20℃; Darkness; Green chemistry;	93%
With 5% Pd(II)/C(eggshell); ammonium formate In methanol for 6h; Reflux;	91%

: C34H50O12

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With potassium tert-butylate In ethanol at 20℃; for 5h;	89.3%

: C37H48O12

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With potassium ethoxide In ethanol at 20℃; for 5h;	86.7%

: C41H56O12

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃; for 5h;	86.7%

: C38H58O12

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 20℃; for 5h;	85%

: C46H42O12

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 5h;	84%

: C35H52O12

: 10338-51-9
Salidroside

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 20℃; for 5h;	81.3%

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Specification

The Salidroside with CAS registry number of 10338-51-9 is also known as b-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl. The IUPAC name is (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol. It belongs to product categories of Plant Oils, Toxins, Phenolic Acids & Derivatives; Nutritional Supplements; Functional Products. In addition, the formula is C₁₄H₂₀O₇ and the molecular weight is 300.31. This chemical is a red-brown fine powder.

Physical properties about Salidroside are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.08; (8)ACD/KOC (pH 7.4): 5.07; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 72.79 cm³; (14)Molar Volume: 204.9 cm³; (15)Surface Tension: 77.6 dyne/cm; (16)Density: 1.46 g/cm³; (17)Flash Point: 286.2 °C; (18)Enthalpy of Vaporization: 87.28 kJ/mol; (19)Boiling Point: 549.5 °C at 760 mmHg; (20)Vapour Pressure: 6.54E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O
2. Isomeric SMILES: C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
3. InChI: InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
4. InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	28600uL/kg (28.6mL/kg)		Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 19, Pg. 229, 1988.