CYANOETHYL SUCROSE

Molecule structure of Cyanoethyl sucrose (CAS NO.18304-13-7):

IUPAC Name: 3-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-Bis(2-cyanoethoxy)-2,5-bis(2-cyanoethoxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-cyanoethoxy)oxan-2-yl]methoxy]propanenitrile 
Molecular Weight: 766.79744 [g/mol]
Molecular Formula: C₃₆H₄₆N₈O₁₁ 
Index of Refraction: 1.526
Molar Refractivity: 183.2 cm³
Molar Volume: 596.2 cm³
Surface Tension: 64.8 dyne/cm
Density: 1.28 g/cm³
Flash Point: 318.9 °C
Enthalpy of Vaporization: 152.48 kJ/mol
Boiling Point: 1040.5 °C at 760 mmHg
XLogP3-AA: -3.7
H-Bond Acceptor: 19
Rotatable Bond Count: 29
Exact Mass: 766.328604
MonoIsotopic Mass: 766.328604
Topological Polar Surface Area: 292
Heavy Atom Count: 55
Canonical SMILES: C(COCC1C(C(C(C(O1)OC2(C(C(C(O2)COCCC#N)OCCC#N)OCCC#N)COCCC#N)OCCC#N)OCCC#N)OCCC#N)C#N
Isomeric SMILES: C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)
COCCC#N)OCCC#N)OCCC#N)COCCC#N)OCCC#N)OCCC#N)OCCC#N)C#N
InChI: InChI=1S/C36H46N8O11/c37-9-1-17-45-25-28-30(48-20-4-12-40)32(50-22-6-14-42)33(51-23-7-15-43)35(53-28)55-36(27-47-19-3-11-39)34(52-24-8-16-44)31(49-21-5-13-41)29(54-36)26-46-18-2-10-38/h28-35H,1-8,17-27H2/t28-,29-,30-,31-,32+,33-,34+,35-,36+/m1/s1
InChIKey: XCKPLVGWGCWOMD-YYEYMFTQSA-N
EINECS: 242-187-3
Product Categories: Organics

Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.

 Cyanoethyl sucrose (CAS NO.18304-13-7) is also named as Octakis-O-(2-cyanoethyl)sucrose ; alpha-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2-cyanoethyl)-beta-D-fructofuranosyl 2,3,4,6-tetrakis-O-(2-cyanoethyl)- . Cyanoethyl sucrose (CAS NO.18304-13-7) is clear pale yellow to yellow viscous liquid.