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Basic Information
CAS No.: 65914-17-2
Name: Polydatin
Article Data: 17
Molecular Structure:
Molecular Structure of 65914-17-2 (Polydatin)
Formula: C20H22O8
Molecular Weight: 390.39
Synonyms: 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside;Piceid;
Density: 1.521 g/cm3
Melting Point: 223-226 °C(lit.)
Boiling Point: 707.7 °C at 760 mmHg
Flash Point: 381.8 °C
Safety: 22-24/25
PSA: 160.07000
LogP: 0.49640
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Chemistry

Molecule structure of beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl (CAS NO.65914-17-2):

IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 
Molecular Weight: 390.38388 g/mol
Molecular Formula: C20H22O8 
Density: 1.521 g/cm3 
Melting Point: 223-226 °C(lit.)
Boiling Point: 707.7 °C at 760 mmHg 
Flash Point: 381.8 °C
Index of Refraction: 1.736
Molar Refractivity: 103.11 cm3
Molar Volume: 256.5 cm3
Polarizability: 40.87×10-24 cm3
Surface Tension: 77.7 dyne/cm 
Enthalpy of Vaporization: 108.69 kJ/mol
Vapour Pressure: 5.08E-21 mmHg at 25 °C
XLogP3: 1.7
H-Bond Donor: 6
H-Bond Acceptor: 8
Rotatable Bond Count: 5
Tautomer Count: 21
Exact Mass: 390.131468
MonoIsotopic Mass: 390.131468
Topological Polar Surface Area: 140
Heavy Atom Count: 28
Complexity: 506
Defined Atom StereoCenter Count: 5
Canonical SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO))
O)O)O)O
InChI: InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-N
Product Categories of beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl (CAS NO.65914-17-2): Natural Plant Extract; Improve Organism Immunity; Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis; plant extract

Safety Profile

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl (CAS NO.65914-17-2) is also named as Polydatin ; 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside ; Piceid .