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D-erythro-Pentofuranosylchloride, 2-deoxy-, 3,5-bis(4-methylbenzoate) (3601-89-6)

Identification
Name:D-erythro-Pentofuranosylchloride, 2-deoxy-, 3,5-bis(4-methylbenzoate)
Synonyms:D-erythro-Pentofuranosylchloride, 2-deoxy-, bis(4-methylbenzoate) (9CI);D-erythro-Pentofuranosylchloride, 2-deoxy-, di-p-toluate (7CI,8CI);Ribofuranosyl chloride, 2-deoxy-,di-p-toluate, D- (6CI);2-Deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranosylchloride;3,5-Di-O-p-toluoyl-2-deoxy-D-ribofuranosyl chloride;1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose;
CAS:3601-89-6
Molecular Formula: C21H21ClO5
Molecular Weight: 388.84
InChI: InChI=1/C21H21ClO6/c1-13-7-3-5-9-15(13)20(23)25-12-18-17(11-19(26-18)28-22)27-21(24)16-10-6-4-8-14(16)2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1
Molecular Structure: (C21H21ClO5) D-erythro-Pentofuranosylchloride, 2-deoxy-, bis(4-methylbenzoate) (9CI);D-erythro-Pentofuranosylchlo...
Properties
Density:1.28g/cm3
Refractive index:1.581
Appearance:Crystalline solid
Specification:

The 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose, with CAS registry number 3601-89-6, belongs to the following product categories: (1)13C & 2H Sugars; (2)Carbohydrates & Derivatives. It has the systematic name of [(2R,3S)-5-chloro-2-[(4-methylbenzoyl)oxymethyl]tetrahydrofuran-3-yl] 4-methylbenzoate. This chemical is a kind of crystalline solid.

Physical properties of 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 5.23; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 61.83 Å2; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 101.3 cm3; (11)Molar Volume: 302.9 cm3; (12)Polarizability: 40.16×10-24cm3; (13)Surface Tension: 50.8 dyne/cm; (14)Enthalpy of Vaporization: 79.09 kJ/mol; (15)Vapour Pressure: 7.5E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C(=O)OCC2C(CC(O2)Cl)OC(=O)c3ccc(cc3)C
(2)InChI: InChI=1/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1
(3)InChIKey: FJHSYOMVMMNQJQ-PAMZHZACBW
(4)Std. InChI: InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19?/m0/s1
(5)Std. InChIKey: FJHSYOMVMMNQJQ-PAMZHZACSA-N

Usage:A versatile carbohydrate derivative univerisally used for the preparation of 2?deoxynucleosides
Safety Data
Hazard Symbols Xi: Irritant
 

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