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CAS No.: | 6614-35-3 |
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Name: | 6-O-ALPHA-D-MANNOPYRANOSYL-D-MANNOPYRANOSE |
Molecular Structure: | |
Formula: | C12H22O11 |
Molecular Weight: | 342.3 |
Synonyms: | D-Mannopyranose, 6-O-α-D-mannopyranosyl-;6-α-D-Mannopyranosyl-D-mannopyranose;Man-α1-6man;α-D-Man-[1-6]D-man; |
Density: | 1.76 g/cm3 |
Melting Point: | 196-197 °C |
Boiling Point: | 662.8 °C at 760 mmHg |
Flash Point: | 354.6 °C |
PSA: | 189.53000 |
LogP: | -5.39720 |
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The 6-O-α-D-Mannopyranosyl-D-mannopyranose, with the CAS registry number 6614-35-3, is also known as D-Mannopyranose, 6-O-α-D-mannopyranosyl-. This chemical's molecular formula is C12H22O11 and molecular weight is 342.30. It belongs to the product categories of Oligosaccharide Compounds; Oligosaccharides. What's more, its systematic name is (3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol. Besides, its storage temperature is -20 °C.
Physical properties of 6-O-α-D-Mannopyranosyl-D-mannopyranose are: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 11; (3)#H bond donors: 8; (4)#Freely Rotating Bonds: 12; (5)Polar Surface Area: 189.53 Å2; (6)Index of Refraction: 1.652; (7)Molar Refractivity: 70.8 cm3; (8)Molar Volume: 193.6 cm3; (9)Polarizability: 28.06×10-24 cm3; (10)Surface Tension: 110.8 dyne/cm; (11)Density: 1.76 g/cm3; (12)Flash Point: 354.6 °C; (13)Enthalpy of Vaporization: 111.6 kJ/mol; (14)Boiling Point: 662.8 °C at 760 mmHg; (15)Vapour Pressure: 2.18E-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]2[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(O)[C@@H](O)[C@H]2O
(2)InChI: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11?,12+/m1/s1
(3)InChIKey: DLRVVLDZNNYCBX-FZFXURTHSA-N