CAS No.30571-56-3,SYRUP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30571-56-3
Name:	SYRUP
Article Data:	5

Formula:	C₁₃H₁₈O₉
Molecular Weight:	318.281
Synonyms:	Xylose,2,3,4,5-tetraacetate, D- (8CI);Xylose, tetraacetate (6CI,7CI);NSC 170164;
Density:	1.246 g/cm³
Melting Point:	90 - 91 °C (diethyl ether)
Boiling Point:	410.177 °C at 760 mmHg
Flash Point:	180.013 °C
PSA:	122.27000
LogP:	-0.45650

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Specification

The 2,3,4,5-Tetra-O-acetyl-D-xylose, with the CAS registry number 30571-56-3, is also known as Xylose,2,3,4,5-tetraacetate, D- (8CI). This chemical's molecular formula is C₁₃H₁₈O₉ and molecular weight is 318.28. What's more, its systematic name is 2,3,4,5-Tetra-O-acetyl-D-xylose.

Physical properties of 2,3,4,5-Tetra-O-acetyl-D-xylose are: (1)ACD/LogP: 1.147; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.38; (6)ACD/BCF (pH 7.4): 4.38; (7)ACD/KOC (pH 5.5): 100.17; (8)ACD/KOC (pH 7.4): 100.17; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 122.27 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 69.438 cm³; (15)Molar Volume: 255.5 cm³; (16)Polarizability: 27.528×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 180.013 °C; (20)Enthalpy of Vaporization: 66.247 kJ/mol; (21)Boiling Point: 410.177 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)C=O)C
(2)Std. InChI: InChI=1S/C13H18O9/c1-7(15)19-6-12(21-9(3)17)13(22-10(4)18)11(5-14)20-8(2)16/h5,11-13H,6H2,1-4H3/t11-,12+,13+/m0/s1
(3)Std. InChIKey: ZYPMNZKYVVSXOJ-YNEHKIRRSA-N