Name: 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl azide
SKU: 7408-41-5

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Basic Information

Molecular Structure:
CAS No.:	7408-41-5
Name:	2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl azide
Article Data:	15

Formula:	C₂₆H₂₁N₃O₇
Molecular Weight:	487.469
Synonyms:	(2R,3R,4R,5R)-2-azido-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl dibenzoate; 2,3,5-Tri-O-benzoyl-b-D-ribofuranosylazide; benzoic acid (2R,3R,4R,5R)-3,4-dibenzoyloxy-5-azido-tetrahydro-furan-2-ylmethyl ester; 2,3,4,6-TETRA-O-ACETYL-1-S-ACETYL-1-THIO-A-D-GALACTOPYRANOSIDE;
PSA:	137.88000
LogP:	3.78256

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Specification

The 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl azide with its cas register number is 7408-41-5. It also can be called as (2R,3R,4R,5R)-2-azido-5-(benzoyloxymethyl)tetrahydrofuran-3,4-diyl dibenzoate and the Systematic name about this chemical is (2R,3R,4R,5R)-2-azido-5-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3,4-diyl dibenzoate (non-preferred name).

Physical properties about 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl azide are: (1)ACD/LogP: 1.82; (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): 160; (6)ACD/BCF (pH 7.4): 160; (7)ACD/KOC (pH 5.5): 1314; (8)ACD/KOC (pH 7.4): 1314; (9)#H bond acceptors: 10; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 100.49Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N\[C@@H]3O[C@@H]([C@@H](OC(=O)c1ccccc1)[C@H]3OC(=O)c2ccccc2)COC(=O)c4ccccc4
(2)InChI: InChI=1/C26H21N3O7/c27-29-28-23-22(36-26(32)19-14-8-3-9-15-19)21(35-25(31)18-12-6-2-7-13-18)20(34-23)16-33-24(30)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21-,22-,23-/m1/s1
(3)InChIKey: JRYQCEUTVAAQHC-SSGKUCQKBL
(4)Std. InChI: InChI=1S/C26H21N3O7/c27-29-28-23-22(36-26(32)19-14-8-3-9-15-19)21(35-25(31)18-12-6-2-7-13-18)20(34-23)16-33-24(30)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21-,22-,23-/m1/s1
(5)Std. InChIKey: JRYQCEUTVAAQHC-SSGKUCQKSA-N