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Basic Information
CAS No.: 15397-16-7
Name: D-Ribofuranose
Article Data: 2
Molecular Structure:
Molecular Structure of 15397-16-7 (D-Ribofuranose)
Formula: C34H28O9
Molecular Weight: 580.591
Synonyms: Ribofuranose,2-C-methyl-, tetrabenzoate, a-D- (8CI);2-C-Methyl-alpha-D-ribofuranose tetrabenzoate;D-Ribofuranose;
Density: 1.346 g/cm3
Boiling Point: 687.271 °C at 760 mmHg
Flash Point: 286.638 °C
PSA: 114.43000
LogP: 5.26660
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Specification

The systematic name of 2-C-Methyl-alpha-D-ribofuranose tetrabenzoate is 1,2,3,5-tetra-O-benzoyl-2-C-methyl-α-D-ribofuranose. With the CAS registry number 15397-16-7, it is also named as D-Ribofuranose. In addition, its molecular formula is C34H28O9 and its molecular weight is 580.58.

The other characteristics of 2-C-Methyl-alpha-D-ribofuranose tetrabenzoate can be summarized as: (1)ACD/LogP: 8.10; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3332008; (8)ACD/KOC (pH 7.4): 3332008; (9)H bond acceptors: 9; (10)H bond donors: 0; (11)Freely Rotating Bonds: 13; (12)Polar Surface Area: 114.43 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 154.266 cm3; (15)Molar Volume: 431.382 cm3; (16)Polarizability: 61.156×10-24cm3; (17)Surface Tension: 61.68 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 286.638 °C; (20)Enthalpy of Vaporization: 100.761 kJ/mol; (21)Boiling Point: 687.271 °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(O[C@H]3O[C@@H]([C@@H](OC(=O)c1ccccc1)[C@]3(OC(=O)c2ccccc2)C)COC(=O)c4ccccc4)c5ccccc5
(2)InChI:InChI=1/C34H28O9/c1-34(43-32(38)26-20-12-5-13-21-26)28(41-30(36)24-16-8-3-9-17-24)27(22-39-29(35)23-14-6-2-7-15-23)40-33(34)42-31(37)25-18-10-4-11-19-25/h2-21,27-28,33H,22H2,1H3/t27-,28-,33-,34-/m1/s1
(3)InChIKey:QJZSLTLDMBDKOU-GDTAYWNCBL
(4)Std. InChI:InChI=1S/C34H28O9/c1-34(43-32(38)26-20-12-5-13-21-26)28(41-30(36)24-16-8-3-9-17-24)27(22-39-29(35)23-14-6-2-7-15-23)40-33(34)42-31(37)25-18-10-4-11-19-25/h2-21,27-28,33H,22H2,1H3/t27-,28-,33-,34-/m1/s1
(5)Std. InChIKey:QJZSLTLDMBDKOU-GDTAYWNCSA-N