Cas no 7404-25-3 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- 3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-one
- (4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-one
- AC1L83D8
- NSC403454
- O4-methyl-D-mannonic acid-5-lactone
- O4-Methyl-D-mannonsaeure-5-lacton
- 7404-25-3
- HXDOZLRAURBSLZ-UHFFFAOYSA-N
- 4-Methylmannonic.delta.- lactone
- DTXSID00323266
- SCHEMBL24507670
- D-Mannonic acid, .delta.-lactone
- NSC-403454
-
-
- Inchi： 1S/C7H12O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-6,8-10H,2H2,1H3
- InChI Key： HXDOZLRAURBSLZ-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1CO)OC)O)O)=O
Computed Properties
- Exact Mass: 192.06336
- Monoisotopic Mass: 192.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 96.2?2
Experimental Properties
- Density: 1.46
- Boiling Point: 378.1°C at 760 mmHg
- Flash Point: 157.3°C
- Refractive Index: 1.531
- PSA: 96.22
- LogP: -2.35910
Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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