Specification: |
The 2,3,5-Tri-O-benzyl-D-ribose with cas registry number of 54623-25-5, has the systematic name of D-ribose, 2,3,5-tris-O-(phenylmethyl)-. And it is also named (3R,4R,5R)-3,4-bis(benzyloxy)-5-(benzyloxymethyl)tetrahydrofuran-2-ol.
Physical properties about this chemical are: (1)ACD/LogP: 7.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.51; (4)ACD/LogD (pH 7.4): 7.51; (5)ACD/BCF (pH 5.5): 298478.88; (6)ACD/BCF (pH 7.4): 298478.53; (7)ACD/KOC (pH 5.5): 288746.94; (8)ACD/KOC (pH 7.4): 288746.63; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 64.99 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 119.4 cm3; (15)Molar Volume: 357.7 cm3; (16)Polarizability: 47.33×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Enthalpy of Vaporization: 92.79 kJ/mol; (19)Vapour Pressure: 7.77E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC[C@H]([C@H]([C@H](C=O)OCc2ccccc2)OCc3ccccc3)O;
(2)InChI: InChI=1/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26-/m1/s1;
(3)InChIKey: XUCNSIRQCBFBHF-UODIDJSMBJ;
(4)Std. InChI: InChI=1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26-/m1/s1;
(5)Std. InChIKey: XUCNSIRQCBFBHF-UODIDJSMSA-N
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