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176590-77-5

Basic Information
CAS No.: 176590-77-5
Name: (2R,3R)-2,3-DIHYDROXYBUTANE-1,4-DIYL DIBENZOATE
Article Data: 14
Cas Database
Molecular Structure:
Molecular Structure of 176590-77-5 ((2R,3R)-2,3-DIHYDROXYBUTANE-1,4-DIYL DIBENZOATE)
Formula: C18H18O6
Molecular Weight: 330.337
Synonyms: 1,2,3,4-Butanetetrol,1,4-dibenzoate, [R-(R*,R*)]-;1,4-Di-O-benzoyl-D-threitol;
Density: 1.295 g/cm3
Boiling Point: 525.9& #176;Cat760mmHg
Flash Point: 190.2 °C
PSA: 93.06000
LogP: 1.42220
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Specification

This chemical is called 1,2,3,4-Butanetetrol,1,4-dibenzoate, (2R,3R)-, and its systematic name is (2R,3R)-2,3-dihydroxybutane-1,4-diyl dibenzoate. With the molecular formula of C18H18O6, its molecular weight is 330.33192. The CAS registry number of this chemical is 176590-77-5.

Other characteristics of the 1,2,3,4-Butanetetrol,1,4-dibenzoate, (2R,3R)- can be summarised as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 71.06 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 86.25 cm3; (9)Molar Volume: 254.8 cm3; (10)Polarizability: 34.19×10-24cm3; (11)Surface Tension: 56.8 dyne/cm; (12)Density: 1.295 g/cm3; (13)Flash Point: 190.2 °C; (14)Enthalpy of Vaporization: 84.22 kJ/mol; (15)Boiling Point: 525.9 °C at 760 mmHg; (16)Vapour Pressure: 6.92E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC[C@@H](O)[C@H](O)COC(=O)c1ccccc1)c2ccccc2
2.InChI: InChI=1/C18H18O6/c19-15(11-23-17(21)13-7-3-1-4-8-13)16(20)12-24-18(22)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2/t15-,16-/m1/s1
3.InChIKey: DJOUKNAKSJTIKP-HZPDHXFCBB