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230953-17-0

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Basic Information
CAS No.: 230953-17-0
Name: O-2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl-(1-3)-O-[2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl-(1-6)]-1,2-O-ethylidene--D-mannopyranose Acetate
Molecular Structure:
Molecular Structure of 230953-17-0 (O-2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl-(1-3)-O-[2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl-(1-6)]-1,2-O-ethylidene--D-mannopyranose Acetate)
Formula: C38H52O25
Molecular Weight: 908.8045
Synonyms: 4-O-Acetyl-3,6-di-O-(2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl)-1,2-ethylidene--D-mannopyranose;4-O-Acetyl-3,6-di-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-1,2 -ethylidene-β-D-mannopyranose;
Density: 1.404 g/cm3
Boiling Point: 816.438 °C at 760 mmHg
Flash Point: 321.034 °C
PSA: 301.31000
LogP: -1.02760
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Specification

The CAS registry number of O-2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl-(1-3)-O-[2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl-(1-6)]-1,2-O-ethylidene--D-mannopyranose Acetate is 230953-17-0. It belongs to the product categories of Carbohydrates & Derivatives; Oligosaccharides. This chemical is also named as 4-O-Acetyl-3,6-di-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-1,2 -ethylidene-β-D-mannopyranose. In addition, its molecular formula is C38H52O25 and molecular weight is 908.8045. Its systematic name is called [(3R,4S,5R,6S)-6-[[(3aS,6R,7S,7aR)-6-acetoxy-2-methyl-7-[(2S,3S,4R,5S)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate.

Physical properties about O-2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl-(1-3)-O-[2,3,4,6-tetra-O-acetyl-a-D-mannopyranosyl-(1-6)]-1,2-O-ethylidene--D-mannopyranose Acetate are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.938; (4)ACD/LogD (pH 7.4): 1.938; (5)ACD/BCF (pH 5.5): 17.494; (6)ACD/BCF (pH 7.4): 17.494; (7)ACD/KOC (pH 5.5): 269.943; (8)ACD/KOC (pH 7.4): 269.943; (9)#H bond acceptors: 25; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 25; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 198.388 cm3; (14)Molar Volume: 647.181 cm3; (15)Surface Tension: 56.444 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 321.034 °C; (18)Enthalpy of Vaporization: 118.671 kJ/mol; (19)Boiling Point: 816.438 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1O[C@@H]2[C@H]([C@@H](C(O[C@H]2O1)CO[C@@H]3[C@@H]([C@H]([C@@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
(2)InChI: InChI=1/C38H52O25/c1-14(39)48-11-24-27(51-16(3)41)30(54-19(6)44)33(56-21(8)46)36(60-24)50-13-26-29(53-18(5)43)32(35-37(61-26)59-23(10)58-35)63-38-34(57-22(9)47)31(55-20(7)45)28(52-17(4)42)25(62-38)12-49-15(2)40/h23-38H,11-13H2,1-10H3/t23?,24?,25?,26?,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37-,38+/m1/s1
(3)InChIKey: YWTLKYGRDHOVGY-JOKRBITHBP