CAS No.14581-81-8,4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14581-81-8
Name:	4-METHOXYPHENYL 2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYANOSIDE
Article Data:	58

Formula:	C₂₁H₂₆O₁₁
Molecular Weight:	454.431
Synonyms:	Glucopyranoside,p-methoxyphenyl, tetraacetate, b-D- (8CI);b-D-Glucopyranoside,4-methoxyphenyl, tetraacetate (9CI);4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyanoside;
EINECS:	1592732-453-0
Density:	1.301 g/cm³
Melting Point:	102 °C
Boiling Point:	525.329 °C at 760 mmHg
Flash Point:	225.706 °C
PSA:	132.89000
LogP:	1.15710

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Specification

The systematic name of 4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyanoside is 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside. With the CAS registry number 14581-81-8, it is also named as Glucopyranoside,p-methoxyphenyl, tetraacetate, beta-D- (8CI). The product's categories are Biochemistry, Glucose, Glycosides, O-substituted Sugars and Sugars. In addition, its molecular formula is C₂₁H₂₆O₁₁ and its molecular weight is 454.42. Besides, this chemical should be stored in freezer.

The other characteristics of 4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyanoside can be summarized as: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 93; (6)ACD/BCF (pH 7.4): 93; (7)ACD/KOC (pH 5.5): 890; (8)ACD/KOC (pH 7.4): 890; (9)H bond acceptors: 11; (10)H bond donors: 0; (11)Freely Rotating Bonds: 12; (12)Polar Surface Area: 132.89 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 106.702 cm³; (15)Molar Volume: 349.234 cm³; (16)Polarizability: 42.3×10^-24cm³; (17)Surface Tension: 49.482 dyne/cm; (18)Density: 1.301 g/cm³; (19)Flash Point: 225.706 °C; (20)Enthalpy of Vaporization: 79.943 kJ/mol; (21)Boiling Point: 525.329 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC[C@H]2O[C@@H](Oc1ccc(OC)cc1)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)C
(2)InChI:InChI=1/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18-,19+,20-,21-/m1/s1
(3)InChIKey:RPHXBVOPPUTUES-YMQHIKHWBF
(4)Std. InChI:InChI=1S/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18-,19+,20-,21-/m1/s1
(5)Std. InChIKey:RPHXBVOPPUTUES-YMQHIKHWSA-N