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Name
Allyl 2,3,4,6-tetra-O-benzyl-a-D-glucopyranoside
- EINECS 1533716-785-6
- CAS No. 6207-45-0
- Article Data31
- CAS DataBase
- Density 1.322 g/cm3
- Solubility
- Melting Point
- Formula C37H40O6
- Boiling Point 745.495 °C at 760 mmHg
- Molecular Weight 580.721
- Flash Point 306.374 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Allyl-2,3,4-tri-O-benzyl-α-D-glucopyranoside;Allyl 2,3,4,6-tetra-O-benzyl-a-D-glucopyranoside;
- PSA 123.66000
- LogP 5.44770
α-D-Glucopyranoside, 2-propen-1-yl2,3,4,6-tetrakis-O-(phenylmethyl)- Specification
The α-D-Glucopyranoside, 2-propen-1-yl2,3,4,6-tetrakis-O-(phenylmethyl)- with the CAS registry number 6207-45-0, is also known as Allyl-2,3,4-tri-O-benzyl-α-D-glucopyranoside. This chemical's molecular formula is C37H40O6 and molecular weight is 580.71. What's more, its systematic name is (6-allyloxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl)methyl benzoate.
Physical properties of α-D-Glucopyranoside, 2-propen-1-yl2,3,4,6-tetrakis-O-(phenylmethyl)- are: (1)ACD/LogP: 9.09; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 9.09; (4)ACD/LogD (pH 7.4): 9.09; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2097677.5; (8)ACD/KOC (pH 7.4): 2097677.5; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 123.66 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 169.617 cm3; (15)Molar Volume: 481.461 cm3; (16)Polarizability: 67.242×10-24cm3; (17)Surface Tension: 59.694 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 306.374 °C; (20)Enthalpy of Vaporization: 108.691 kJ/mol; (21)Boiling Point: 745.495 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C=CCOC1C(C(C(C(O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5
(2)Std. InChI: InChI=1S/C37H32O10/c1-2-23-42-37-32(47-36(41)28-21-13-6-14-22-28)31(46-35(40)27-19-11-5-12-20-27)30(45-34(39)26-17-9-4-10-18-26)29(44-37)24-43-33(38)25-15-7-3-8-16-25/h2-22,29-32,37H,1,23-24H2
(3)Std. InChIKey: BNWKZSZXVMUNIH-UHFFFAOYSA-N
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