CAS No.23316-67-8,2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl cyanide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23316-67-8
Name:	2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl cyanide
Article Data:	29

Formula:	C₂₇H₂₁NO₇
Molecular Weight:	471.466
Synonyms:	Allononitrile,2,5-anhydro-, 3,4,6-tribenzoate, D- (8CI);2,3,5-Tri-O-benzoyl-b-D-ribofuranosyl cyanide;2,5-Anhydro-D-allononitrile3,4,6-tribenzoate;NSC 326632;
Density:	1.35 g/cm³
Boiling Point:	643.1 °C at 760 mmHg
Flash Point:	272.4 °C
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36
PSA:	111.92000
LogP:	3.58558

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Specification

The 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl cyanide, with cas registry number 23316-67-8, has the systematic name of (2S,3S,4R,5R)-2-cyano-5-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3,4-diyl dibenzoate (non-preferred name). And its IUPAC name is (3,4-dibenzoyloxy-5-cyanooxolan-2-yl)methyl benzoate.

Physical properties about this chemical are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.95; (6)ACD/BCF (pH 7.4): 51.95; (7)ACD/KOC (pH 5.5): 588.31; (8)ACD/KOC (pH 7.4): 588.31; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 111.92 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 122.97 cm³; (15)Molar Volume: 348.1 cm³; (16)Polarizability: 48.75×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Enthalpy of Vaporization: 94.91 kJ/mol; (19)Vapour Pressure: 1.96E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2,3,5-Tri-O-benzoyl-beta-D-ribofuranosyl cyanide is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@H]3O[C@@H](C#N)[C@H](OC(=O)c1ccccc1)[C@@H]3OC(=O)c2ccccc2)c4ccccc4
(2)InChI: InChI=1/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
(3)InChIKey: OFMYTVNDIRTGMR-UARRHKHWBE
(4)Std. InChI: InChI=1S/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
(5)Std. InChIKey: OFMYTVNDIRTGMR-UARRHKHWSA-N