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23214-66-6

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Basic Information
CAS No.: 23214-66-6
Name: (R)-(-)-1-BENZYLOXY-3-(P-TOSYLOXY)-2-PROPANOL
Article Data: 8
Molecular Structure:
Molecular Structure of 23214-66-6 ((R)-(-)-1-BENZYLOXY-3-(P-TOSYLOXY)-2-PROPANOL)
Formula: C17H20O5S
Molecular Weight: 336.409
Synonyms: 1,2-Propanediol,3-(benzyloxy)-, 1-p-toluenesulfonate, D- (8CI);1,2-Propanediol, 3-(phenylmethoxy)-,1-(4-methylbenzenesulfonate), (R)-;(R)-(-)-1-Benzyloxy-3-(p-tosyloxy)-2-propanol;D-1-Benzyl-3-tosylglycerol;
Density: 1.254 g/cm3
Melting Point: 52-55 °C
Boiling Point: 515.624 °C at 760 mmHg
Flash Point: 265.64 °C
Safety: 22-24/25
PSA: 81.21000
LogP: 3.35880
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Specification

The (R)-(-)-1-Benzyloxy-3-(p-tosyloxy)-2-propanol, with the CAS registry number 23214-66-6, has the systematic name of (2R)-3-(benzyloxy)-2-hydroxypropyl 4-methylbenzenesulfonate. And the molecular formula of the chemical is C17H20O5S. While dealing with this chemical, you should be cautious not to breathe dust and avoid contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 138; (6)ACD/BCF (pH 7.4): 138; (7)ACD/KOC (pH 5.5): 1183; (8)ACD/KOC (pH 7.4): 1183; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 81.21 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 88.424 cm3; (15)Molar Volume: 268.315 cm3; (16)Polarizability: 35.054×10-24cm3; (17)Surface Tension: 49.399 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 265.64 °C; (20)Enthalpy of Vaporization: 82.914 kJ/mol; (21)Boiling Point: 515.624 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)OC[C@H](O)COCc2ccccc2
(2)InChI: InChI=1/C17H20O5S/c1-14-7-9-17(10-8-14)23(19,20)22-13-16(18)12-21-11-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3/t16-/m1/s1
(3)InChIKey: HBMUWOSOGHUWSS-MRXNPFEDBV