CAS No.4137-56-8,Methyl 2,3-O-isopropylidene-5-O-(p-tolylsulfonyl)-beta-D-ribofuranoside Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4137-56-8
Name:	Methyl 2,3-O-isopropylidene-5-O-(p-tolylsulfonyl)-beta-D-ribofuranoside
Article Data:	48

Formula:	C₁₆H₂₂O₇S
Molecular Weight:	358.412
Synonyms:	Ribofuranoside,methyl 2,3-O-isopropylidene-, p-toluenesulfonate (6CI,7CI);Ribofuranoside,methyl 2,3-O-isopropylidene-, p-toluenesulfonate, b-D- (8CI);b-D-Ribofuranoside, methyl 2,3-O-(1-methylethylidene)-,4-methylbenzenesulfonate (9CI);Methyl2,3-O-isopropylidene-5-O-p-tolylsulfonyl-b-D-ribofuranoside;Methyl2,3-O-isopropylidene-5-O-tosyl-D-ribonucleoside;Methyl2,3-O-isopropylidene-5-O-tosyl-b-D-ribofuranoside;NSC 85192;
Density:	1.33 g/cm³
Melting Point:	83-84°C
Boiling Point:	475.3 °C at 760 mmHg
Flash Point:	241.3 °C
Appearance:	Crystalline Solid
PSA:	88.67000
LogP:	2.67250

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Specification

The Methyl 2,3-O-isopropylidene-5-O-(p-tolylsulfonyl)-beta-D-ribofuranoside, with the CAS registry number 4137-56-8, has the IUPAC name of (4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl 4-methylbenzenesulfonate. It is a kind of crystalline solid, and belongs to the following product categories: 13C & 2H Sugars; Carbohydrates & Derivatives; Carbohydrates; Carbohydrates A to; Carbohydrates M-OBiochemicals and Reagents; Monosaccharide. And the molecular formula of the chemical is C₁₆H₂₂O₇S.

The characteristics of Methyl 2,3-O-isopropylidene-5-O-(p-tolylsulfonyl)-beta-D-ribofuranoside are as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.65; (6)ACD/BCF (pH 7.4): 29.65; (7)ACD/KOC (pH 5.5): 393.8; (8)ACD/KOC (pH 7.4): 393.8; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 88.67 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 86.4 cm³; (15)Molar Volume: 269 cm³; (16)Polarizability: 34.25×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 241.3 °C; (20)Enthalpy of Vaporization: 71.06 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 9.61E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1(C)O[C@@H]2[C@H](O[C@@H](OC)[C@@H]2O1)COS(=O)(=O)c3ccc(C)cc3
(2)InChI: InChI=1/C16H22O7S/c1-10-5-7-11(8-6-10)24(17,18)20-9-12-13-14(15(19-4)21-12)23-16(2,3)22-13/h5-8,12-15H,9H2,1-4H3/t12-,13-,14-,15-/m1/s1
(3)InChIKey: IAPMZKRZMYQZSW-KBUPBQIOBC