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Name |
Mannopyranose, 6-deoxy-, 2,3,4-tribenzoate |
EINECS | N/A |
CAS No. | 7494-44-2 | Density | 1.35 g/cm3 |
PSA | 108.36000 | LogP | 3.40030 |
Solubility | N/A | Melting Point |
205-210°C |
Formula | C27H24O8 | Boiling Point | 637.3 °C at 760 mmHg |
Molecular Weight | 476.483 | Flash Point | 213.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 400292;(4,5-Dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl) benzoate;2,3,4-Tri-O-benzoyl-6-deoxyhexopyranose; |
The Mannopyranose, 6-deoxy-, 2,3,4-tribenzoate, with the CAS registry number 7494-44-2, is also known as 2,3,4-Tri-O-benzoyl-6-deoxyhexopyranose. This chemical's molecular formula is C27H24O8 and molecular weight is 476.47. What's more, its systematic name is (4,5-dibenzoyloxy-6-hydroxy-2-methyloxan-3-yl) benzoate.
Physical properties of Mannopyranose, 6-deoxy-, 2,3,4-tribenzoate are: (1)ACD/LogP: 6.98; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 8; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 97.36 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 124.54 cm3; (9)Molar Volume: 352.4 cm3; (10)Polarizability: 49.37×10-24cm3; (11)Surface Tension: 61.2 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 213.1 °C; (14)Enthalpy of Vaporization: 98.94 kJ/mol; (15)Boiling Point: 637.3 °C at 760 mmHg; (16)Vapour Pressure: 4.09E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(C(C(C(O1)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
(2)InChI: InChI=1S/C27H24O8/c1-17-21(33-24(28)18-11-5-2-6-12-18)22(34-25(29)19-13-7-3-8-14-19)23(27(31)32-17)35-26(30)20-15-9-4-10-16-20/h2-17,21-23,27,31H,1H3
(3)InChIKey: UTEZHORWKBBBND-UHFFFAOYSA-N