Name: 1-ACETYL-2,3,5-TRI-O-BENZOYL-B-L-RIBOFURANOSE
SKU: 3080-30-6

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Basic Information

Molecular Structure:
CAS No.:	3080-30-6
Name:	1-ACETYL-2,3,5-TRI-O-BENZOYL-B-L-RIBOFURANOSE
Article Data:	23

Formula:	C₂₈H₂₄O₉
Molecular Weight:	504.493
Synonyms:	Ribofuranose,1-acetate 2,3,5-tribenzoate (6CI,7CI);Ribofuranose, 1-acetate2,3,5-tribenzoate, b-L- (8CI);NSC 87674;
Density:	1.351 g/cm³
Melting Point:	128.0 to 132.0 °C
Boiling Point:	620.984 °C at 760 mmHg
Flash Point:	264.258 °C
PSA:	114.43000
LogP:	3.58260

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Specification

This chemical is called 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-L-ribofuranose, and it can also be named as β-L-glycero-pentofuranose, 1-acetate 2,3,5-tribenzoate. With the molecular formula of C₂₈H₂₄O₉, its molecular weight is 504.48. The CAS registry number of this chemical is 3080-30-6.

Other characteristics of the 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-L-ribofuranose can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 155; (6)ACD/BCF (pH 7.4): 155; (7)ACD/KOC (pH 5.5): 1286; (8)ACD/KOC (pH 7.4): 1286; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 114.43 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 129.523 cm³; (15)Molar Volume: 373.435 cm³; (16)Polarizability: 51.347×10^-24cm³; (17)Surface Tension: 59.407 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 264.258 °C; (20)Enthalpy of Vaporization: 92.02 kJ/mol; (21)Boiling Point: 620.984 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O[C@H]3O[C@H]([C@H](OC(=O)c1ccccc1)[C@@H]3OC(=O)c2ccccc2)COC(=O)c4ccccc4)C
2.InChI: InChI=1/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28-/m0/s1
3.InChIKey: GCZABPLTDYVJMP-TVQWTUMOBK