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4141-45-1

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Basic Information
CAS No.: 4141-45-1
Name: Methyl-4,6-di-O-benzylidene-2,3-di-O-acetyl-α-D-glucopyranoside
Article Data: 30
Molecular Structure:
Molecular Structure of 4141-45-1 (Methyl-4,6-di-O-benzylidene-2,3-di-O-acetyl-α-D-glucopyranoside)
Formula: C18H22O8
Molecular Weight: 366.368
Synonyms: Glucopyranoside,methyl 4,6-O-benzylidene-, diacetate, α-D- (6CI,7CI,8CI);Methyl2,3-di-O-acetyl-4,6-O-benzylidene-a-D-glucopyranoside;NSC 185307;7-(acetyloxy)-6-methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl acetate;Methyl 2,3-di-O-acetyl-4,6-O-benzylidenehexopyranoside;
Density: 1.29 g/cm3
Melting Point: 108-109 °C
Boiling Point: 466.5 °C at 760 mmHg
Flash Point: 204.2 °C
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Specification

The α-D-Glucopyranoside, methyl4,6-O-(phenylmethylene)-, diacetate (9CI), with the CAS registry number 4141-45-1, is also known as 7-(acetyloxy)-6-methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl acetate. It belongs to the product category of Carbohydrates. This chemical's molecular formula is C18H22O8 and molecular weight is 366.36. What's more, its systematic name is methyl 2,3-di-O-acetyl-4,6-O-benzylidenehexopyranoside.

Physical properties of α-D-Glucopyranoside, methyl4,6-O-(phenylmethylene)-, diacetate (9CI) are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 89.52 Å2; (7)Index of Refraction: 1.538; (8)Molar Refractivity: 88.77 cm3; (9)Molar Volume: 283.4 cm3; (10)Polarizability: 35.19×10-24 cm3; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.29 g/cm3; (13)Flash Point: 204.2 °C; (14)Enthalpy of Vaporization: 72.84 kJ/mol; (15)Boiling Point: 466.5 °C at 760 mmHg; (16)Vapour Pressure: 7.01E-09 mmHg at 25°C.

Uses of α-D-Glucopyranoside, methyl4,6-O-(phenylmethylene)-, diacetate (9CI): it can be used to produce benzoic acid 4,5-diacetoxy-2-bromomethyl-6-methoxy-tetrahydro-pyran-3-yl ester by irradiation. It will need reagent CBrCl3 and solvent CCl4 with the reaction time of 1.5 hours. The yield is about 90%.

α-D-Glucopyranoside, methyl4,6-O-(phenylmethylene)-, diacetate (9CI) can be used to produce benzoic acid 4,5-diacetoxy-2-bromomethyl-6-methoxy-tetrahydro-pyran-3-yl ester

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC3C(OC(=O)C)C(OC1C3OC(OC1)c2ccccc2)OC)C
(2)InChI: InChI=1/C18H22O8/c1-10(19)23-15-14-13(25-18(21-3)16(15)24-11(2)20)9-22-17(26-14)12-7-5-4-6-8-12/h4-8,13-18H,9H2,1-3H3
(3)InChIKey: QOKXXIQSHLLVPF-UHFFFAOYAJ