CAS No.6748-91-0,METHYL-2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6748-91-0
Name:	METHYL-2,3-DI-O-BENZOYL-4,6-O-BENZYLIDENE-ALPHA-D-GLUCOPYRANOSIDE
Article Data:	29

Formula:	C₂₈H₂₆O₈
Molecular Weight:	490.51
Synonyms:	(7-Benzoyloxy-6-methoxy-2-phenyl-4, 4α, 6, 7, 8, 8α-hexahydropyrano[3, 2-d][1, 3]dioxin-8-yl) benzoate;NSC185319;
Density:	1.332 g/cm³
Melting Point:	152.0 to 157.0 °C
Boiling Point:	619.819 °C at 760 mmHg
Flash Point:	264.493 °C
PSA:	89.52000
LogP:	3.92310

Total:18 Page 1 of 1 1

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Specification

The Methyl 2, 3-Di-O-benzoyl-4, 6-O-benzylidene-α-D-glucopyranoside, with the CAS registry number 6748-91-0, is also known as β-L-Gulopyranoside, methyl 4, 6-O-(phenylmethylene)-, dibenzoate. It belongs to the product category of Carbohydrates. This chemical's molecular formula is C₂₈H₂₆O₈ and molecular weight is 490.5. What's more, its IUPAC name is (7-Benzoyloxy-6-methoxy-2-phenyl-4, 4α, 6, 7, 8, 8α-hexahydropyrano[3, 2-d][1, 3]dioxin-8-yl) benzoate.

Physical properties about Methyl 2, 3-Di-O-benzoyl-4, 6-O-benzylidene-α-D-glucopyranoside are: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.328; (4)ACD/LogD (pH 7.4): 5.328; (5)ACD/BCF (pH 5.5): 6595.149; (6)ACD/BCF (pH 7.4): 6595.149; (7)ACD/KOC (pH 5.5): 18853.523; (8)ACD/KOC (pH 7.4): 18853.523; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 89.52 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 128.945 cm³; (15)Molar Volume: 368.27 cm³; (16)Polarizability: 51.118×10^-24 cm³; (17)Surface Tension: 57.293 dyne/cm; (18)Density: 1.332 g/cm³; (19)Flash Point: 264.493 °C; (20)Enthalpy of Vaporization: 91.869 kJ/mol; (21)Boiling Point: 619.819 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CO[C@@H]1[C@H]([C@H]([C@H]2[C@@H](O1)COC(O2)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5
(2) InChI: InChI=1/C28H26O8/c1-31-28-24(35-26(30)19-13-7-3-8-14-19)23(34-25(29)18-11-5-2-6-12-18)22-21(33-28)17-32-27(36-22)20-15-9-4-10-16-20/h2-16,21-24,27-28H,17H2,1H3/t21-,22+,23-,24-,27?,28-/m0/s1
(3) InChIKey: CGMUHSNJRXPSSA-VBBSJTGDBG