Cas no 4064-29-3 (Arabinitol,1,5-anhydro-, 3,4-dibenzoate, D- (8CI))
4064-29-3 structure
Product Name:Arabinitol,1,5-anhydro-, 3,4-dibenzoate, D- (8CI)
CAS No:4064-29-3
MF:C19H18O6
MW:342.342626094818
CID:332782
PubChem ID:314433
Update Time:2025-04-19
Arabinitol,1,5-anhydro-, 3,4-dibenzoate, D- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Arabinitol,1,5-anhydro-, 3,4-dibenzoate, D- (8CI)
- (4-benzoyloxy-5-hydroxyoxan-3-yl) benzoate
- DTXSID50310803
- NSC231891
- 4064-29-3
- NSC-231891
-
- Inchi： 1S/C19H18O6/c20-15-11-23-12-16(24-18(21)13-7-3-1-4-8-13)17(15)25-19(22)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2
- InChI Key： HJWRVGIWNOHGQT-UHFFFAOYSA-N
- SMILES： O1CC(C(C(C1)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)O
Computed Properties
- Exact Mass: 342.11
- Monoisotopic Mass: 342.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 453
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- Density: 1.32
- Boiling Point: 529.8°C at 760 mmHg
- Flash Point: 191.1°C
- Refractive Index: 1.605
- PSA: 82.06000
- LogP: 1.82870
Arabinitol,1,5-anhydro-, 3,4-dibenzoate, D- (8CI) Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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