CAS No.13242-53-0,2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13242-53-0
Name:	2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL BROMIDE
Article Data:	115

Formula:	C₁₄H₁₉BrO₉
Molecular Weight:	411.203
Synonyms:	Mannopyranosylbromide, tetraacetate (7CI);Mannopyranosyl bromide, tetraacetate, a-D- (8CI);a-D-Mannopyranosyl bromide,tetraacetate (9CI);2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl bromide;Acetobromomannose;Tetra-O-acetyl-a-D-mannopyranosylbromide;
Density:	1.49 g/cm³
Melting Point:	60-61°C
Boiling Point:	412.007 °C at 760 mmHg
Flash Point:	202.975 °C
PSA:	114.43000
LogP:	0.46440

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Specification

The a-D-Mannopyranosyl bromide,2,3,4,6-tetraacetate, with the CAS registry number 13242-53-0, is also known as -D-Mannopyranosyl bromide. It belongs to the product category of Carbohydrates & Derivatives. This chemical's molecular formula is C₁₄H₁₉BrO₉ and molecular weight is 411.2. What's more, its systematic name is 2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl bromide.

Physical properties about a-D-Mannopyranosyl bromide,2,3,4,6-tetraacetate are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 309; (8)ACD/KOC (pH 7.4): 309; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 114.43 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 81.61 cm³; (15)Molar Volume: 275.947 cm³; (16)Polarizability: 32.353×10-24cm³; (17)Surface Tension: 47.991 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 202.975 °C; (20)Enthalpy of Vaporization: 66.457 kJ/mol; (21)Boiling Point: 412.007 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
(2) InChI: InChI=1/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
(3) InChIKey: CYAYKKUWALRRPA-DGTMBMJNBN