-
Name
1,3:4,6-DI-O-BENZYLIDENE-D-MANNITOL
- EINECS
- CAS No. 28224-73-9
- Article Data6
- CAS DataBase
- Density 1.312 g/cm3
- Solubility
- Melting Point 192-195°C
- Formula C20H22O6
- Boiling Point 595.4 °C at 760 mmHg
- Molecular Weight 358.391
- Flash Point 313.9 °C
- Transport Information
- Appearance White Crystalline Solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Mannitol,1,3:4,6-di-O-benzylidene-, D- (8CI);1,3:4,6-Di-O-benzylidene-D-mannitol;1,3,4,6-Di-O-benzylidene-D-mannitol;
- PSA 77.38000
- LogP 1.93660
D-Mannitol,1,3:4,6-bis-O-(phenylmethylene)- Specification
The D-Mannitol,1,3:4,6-bis-O-(phenylmethylene)-, with the CAS registry number 28224-73-9, belongs to the following product categories: 13C & 2H Sugars; Carbohydrates & Derivatives; Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. It is a kind of white crystalline solid, and should be stored at 2-8°C. And the molecular formula of the chemical is C20H22O6.
The characteristics of D-Mannitol,1,3:4,6-bis-O-(phenylmethylene)- are as followings: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 77.38 Å2; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 93.42 cm3; (11)Molar Volume: 273 cm3; (12)Polarizability: 37.03×10-24cm3; (13)Surface Tension: 55.4 dyne/cm; (14)Density: 1.312 g/cm3; (15)Flash Point: 313.9 °C; (16)Enthalpy of Vaporization: 93.31 kJ/mol; (17)Boiling Point: 595.4 °C at 760 mmHg; (18)Vapour Pressure: 5.05E-15 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc(cc1)C2OCC(C(O2)C3C(COC(O3)c4ccccc4)O)O
(2)InChI: InChI=1/C20H22O6/c21-15-11-23-19(13-7-3-1-4-8-13)25-17(15)18-16(22)12-24-20(26-18)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18?,19?,20?/m0/s1
(3)InChIKey: NVEGGHPETXMRSV-WUIVRCKBBB
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