Cas no 123499-67-2 (1'-O-benzoylsucrose)
1'-O-benzoylsucrose structure
Product Name:1'-O-benzoylsucrose
CAS No:123499-67-2
MF:C19H26O12
MW:446.402547359467
CID:2003940
PubChem ID:10225582
Update Time:2025-04-21
1'-O-benzoylsucrose Chemical and Physical Properties
Names and Identifiers
-
- 1'-O-benzoylsucrose
- sucrose-benzoate
- .ALPHA.-D-GLUCOPYRANOSIDE, 1-O-BENZOYL-.BETA.-D-FRUCTOFURANOSYL
- alpha-D-Glucopyranoside, 1-o-benzoyl-beta-D-fructofuranosyl
- UNII-0QJ4142GDD
- Q27237108
- SCHEMBL237199
- Sucrose 1'-benzoate
- 1'-o-Benzoylsucrose, (+)-
- ((2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydrofuran-2-yl)methyl benzoate
- 0QJ4142GDD
- SACCHAROSE BENZOATE
- 123499-67-2
- [(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl benzoate
- ((2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxolan-2-yl)methyl benzoate
-
- Inchi： 1S/C19H26O12/c20-6-10-12(22)14(24)15(25)18(29-10)31-19(16(26)13(23)11(7-21)30-19)8-28-17(27)9-4-2-1-3-5-9/h1-5,10-16,18,20-26H,6-8H2/t10-,11-,12-,13-,14+,15-,16+,18-,19+/m1/s1
- InChI Key： SYDJVRWZOWPNNO-OVUASUNJSA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@]1(COC(C1C=CC=CC=1)=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 446.14242626g/mol
- Monoisotopic Mass: 446.14242626g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 598
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2
- Topological Polar Surface Area: 196?2
1'-O-benzoylsucrose Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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