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40983-94-6

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Basic Information
CAS No.: 40983-94-6
Name: Benzyl 4,6-O-benzylidene-alpha-D-mannopyranoside
Article Data: 13
Molecular Structure:
Molecular Structure of 40983-94-6 (Benzyl 4,6-O-benzylidene-alpha-D-mannopyranoside)
Formula: C20H22O6
Molecular Weight: 358.391
Synonyms: Benzyl 4-O,6-O-benzylidene-α-D-mannopyranoside;
Density: 1.345 g/cm3
Melting Point: 147-149oC
Boiling Point: 556.97 °C at 760 mmHg
Flash Point: 290.645 °C
PSA: 77.38000
LogP: 1.76410
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Specification

The Benzyl 4,6-O-benzylidene-alpha-D-mannopyranoside with the cas number 40983-94-6 is also called (6R,8R,8aS)-6-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol. Its molecular formula is C20H22O6. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.481; (4)ACD/LogD (pH 7.4): 0.481; (5)ACD/BCF (pH 5.5): 1.366; (6)ACD/BCF (pH 7.4): 1.366; (7)ACD/KOC (pH 5.5): 43.517; (8)ACD/KOC (pH 7.4): 43.516; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 77.38 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 94.326 cm3; (15)Molar Volume: 266.39 cm3; (16)Polarizability: 37.394×10-24cm3; (17)Surface Tension: 60.259 dyne/cm; (18)Enthalpy of Vaporization: 88.246 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CO[C@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)O
(2)InChI: InChI=1/C20H22O6/c21-16-17(22)20(23-11-13-7-3-1-4-8-13)25-15-12-24-19(26-18(15)16)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15?,16-,17?,18-,19?,20-/m1/s1
(3)InChIKey: LEJLVYJUXVHIJN-IYJWEEFIBQ