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b-D-Glucopyranosylamine,2,3,4,6-tetraacetate

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Name

b-D-Glucopyranosylamine,2,3,4,6-tetraacetate

EINECS N/A
CAS No. 51642-81-0 Density 1.3 g/cm3
PSA 140.45000 LogP -0.27150
Solubility N/A Melting Point 127 °C
Formula C14H21NO9 Boiling Point 411.6 °C at 760 mmHg
Molecular Weight 347.322 Flash Point 143.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51642-81-0 (b-D-Glucopyranosylamine,2,3,4,6-tetraacetate) Hazard Symbols N/A
Synonyms

NSC272457;Tetra-O-acetyl-b-D-glucopyranosylamine;

 

b-D-Glucopyranosylamine,2,3,4,6-tetraacetate Specification

The b-D-Glucopyranosylamine,2,3,4,6-tetraacetate, with the CAS registry number 51642-81-0, is also known as 2,3,4,6-Tetra-O-acetylhexopyranosylamine and Tetra-O-acetyl-b-D-glucopyranosylamine. This chemical's molecular formula is C14H21NO9 and molecular weight is 347.3178. What's more, its IUPAC name is (3,4,5-Triacetyloxy-6-aminooxan-2-yl)methyl acetate.

Physical properties about b-D-Glucopyranosylamine,2,3,4,6-tetraacetate are: (1) ACD/LogP: 0.84; (2) # of Rule of 5 Violations: 1; (3) #H bond acceptors: 10; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 10; (6) Polar Surface Area: 117.67 Å2; (7) Index of Refraction: 1.493; (8) Molar Refractivity: 77.5 cm3; (9) Molar Volume: 266.2 cm3; (10) Polarizability: 30.72×10-24 cm3; (11) Surface Tension: 48.6 dyne/cm; (12) Density: 1.3 g/cm3; (13) Flash Point: 143.2 °C; (14) Enthalpy of Vaporization: 66.41 kJ/mol ; (15) Boiling Point: 411.6 °C at 760 mmHg; (16) Vapour Pressure: 5.53E-07 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC1OC(N)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
(2) InChI: InChI=1/C14H21NO9/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,5,15H2,1-4H3
(3) InChIKey: LMVYBLMOENOGGK-UHFFFAOYAY

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