CAS No.51642-81-0,2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51642-81-0
Name:	2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE

Formula:	C₁₄H₂₁NO₉
Molecular Weight:	347.322
Synonyms:	NSC272457;Tetra-O-acetyl-b-D-glucopyranosylamine;
Density:	1.3 g/cm³
Melting Point:	127 °C
Boiling Point:	411.6 °C at 760 mmHg
Flash Point:	143.2 °C
PSA:	140.45000
LogP:	-0.27150

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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 C₁₄H₂₁NO₉and 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