CAS No.22352-19-8,Octaacetyl-beta-maltose Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22352-19-8
Name:	Octaacetyl-beta-maltose

Formula:	C₂₈H₃₈O₁₉
Molecular Weight:	678.598
Synonyms:	Maltose,octaacetate, b-(8CI);b-D-Glucopyranose,4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-, tetraacetate (9CI);NSC 1351;Octa-O-acetyl-b-D-maltose;Octaacetyl-b-maltose;b-D-Maltopyranose octaacetate;b-Maltose octaacetate;
EINECS:	606-994-8
Density:	1.37 g/cm³
Melting Point:	159-160 °C
Boiling Point:	683.055 °C at 760 mmHg
Flash Point:	281.178 °C
PSA:	293.09000
LogP:	-3.88880

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Specification

This chemical is called Octaacetyl-beta-maltose, and its IUPAC name is [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate. With the molecular formula of C₂₈H₃₈O₁₉, its molecular weight is 678.60. The CAS registry number of this chemical is 22352-19-8, and its product categories are Carbohydrates; Carbohydrates A to; Carbohydrates M-OBiochemicals and Reagents; Polysaccharide. Additionally, this chemical should be stored at the temperature of -20 °C.

Other characteristics of the Octaacetyl-beta-maltose can be summarised as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 68.02; (6)ACD/BCF (pH 7.4): 68.02; (7)ACD/KOC (pH 5.5): 713.52; (8)ACD/KOC (pH 7.4): 713.52; (9)#H bond acceptors: 19; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 238.09 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 147.47 cm³; (15)Molar Volume: 495.2 cm³; (16)Polarizability: 58.46×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 281.2 °C; (20)Enthalpy of Vaporization: 100.2 kJ/mol; (21)Boiling Point: 683.1 °C at 760 mmHg; (22)Vapour Pressure: 1.64E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC[C@H]2O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2O[C@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)C
2.InChI: InChI=1/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1