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27208-80-6

Basic Information
CAS No.: 27208-80-6
Name: Polydatin
Article Data: 17
Cas Database
Molecular Structure:
Molecular Structure of 27208-80-6 (Polydatin)
Formula: C20H22O8
Molecular Weight: 390.39
Synonyms: Piceid(6CI,7CI,8CI);b-D-Glucopyranoside,3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl, (E)-;(E)-Piceid;(E)-Polydatin;(E)-Resveratrol 3-O-b-D-glucopyranoside;3-Hydroxy-5-(p-hydroxystyryl)phenyl b-D-glucoside;Polydotin peceid;Resveratrol 3-O-b-glucopyranoside;trans-Piceid;trans-Polydatin;
EINECS: N/A
Density: 1.521 g/cm3
Melting Point: 223-226 °C(lit.)
Boiling Point: 707.7 °C at 760 mmHg
Flash Point: 381.8 °C
Solubility: N/A
Appearance: White fine powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 22-24/25
Transport Information: N/A
PSA: 139.84000
LogP: 0.44690
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Chemistry

Product Name: Polydatin (CAS NO.27208-80-6)

Molecular Formula: C20H22O8
Molecular Weight: 390.39g/mol
Mol File: 27208-80-6.mol
Melting Point: 223-226 °C(lit.)
Boiling point: 707.7 °C at 760 mmHg
Flash Point: 381.8 °C
Density: 1.521 g/cm3
Index of Refraction: 1.736 
Molar Refractivity: 103.11 cm3 
Molar Volume: 256.5 cm3 
Surface Tension: 77.7 dyne/cm
Enthalpy of Vaporization: 108.69 kJ/mol
Vapour Pressure: 5.08E-21 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 6
H-Bond Acceptor: 8
Structure Descriptors of Polydatin (CAS NO.27208-80-6):
  IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  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)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: Anthocyanins; The group of Polydatin

Safety Profile

Safety Information of Polydatin (CAS NO.27208-80-6):
Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 Polydatin , its CAS NO. is 27208-80-6, the synonyms are 3,4,5-Trihydroxystilbene-3-beta-monoglucoside ; Resveratrol 3-beta-mono-D-glucoside ; beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-, (E)- .