Cas no 29600-81-5 (Methyl 2,3-DI-O-benzyl-4,6-O-benzylidene-A-D-galactopyranoside)
29600-81-5 structure
Product Name:Methyl 2,3-DI-O-benzyl-4,6-O-benzylidene-A-D-galactopyranoside
CAS No:29600-81-5
MF:C28H30O6
MW:462.534208774567
CID:240464
Update Time:2023-08-02
Methyl 2,3-DI-O-benzyl-4,6-O-benzylidene-A-D-galactopyranoside Chemical and Physical Properties
Names and Identifiers
-
- a-D-Galactopyranoside, methyl2,3-bis-O-(phenylmethyl)-4,6-O-(phenylmethylene)-
- methyl 2,3-di-O-benzyl-4,6-O-(R)-benzylidene-α-D-glucopyranoside
- METHYL-4,6-DI-O-BENZYLIDENE-2,3-DI-O-BENZYL-Α-D-GALACTOPYRANOSIDE
- Galactopyranoside,methyl 2,3-di-O-benzyl-4,6-O-benzylidene-, a-D- (8CI)
- Pyrano[3,2-d]-1,3-dioxin, a-D-galactopyranoside deriv.
- METHYL 2,3-DI-O-BENZYL-4,6-O-BENZYLIDENE-A-D-GALACTOPYRANOSIDE
- Methyl 2-O,3-O-dibenzyl-4-O,6-O-benzylidene-alpha-D-galactopyranoside
- Methyl 2,3-DI-O-benzyl-4,6-O-benzylidene-A-D-galactopyranoside
-
- Inchi： 1S/C28H30O6/c1-29-28-26(31-18-21-13-7-3-8-14-21)25(30-17-20-11-5-2-6-12-20)24-23(33-28)19-32-27(34-24)22-15-9-4-10-16-22/h2-16,23-28H,17-19H2,1H3/t23-,24+,25+,26-,27?,28+/m1/s1
- InChI Key： CVHUOBYFXKHVJR-BBNIJSTKSA-N
- SMILES： O1[C@@H]([C@@H]([C@H]([C@@H]2[C@H]1COC(C1C=CC=CC=1)O2)OCC1C=CC=CC=1)OCC1C=CC=CC=1)OC
Computed Properties
- Exact Mass: 462.204
- Monoisotopic Mass: 462.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 8
- Complexity: 583
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.4
Experimental Properties
- Density: 1.23±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.031 g/l) (25 o C),
- PSA: 55.38000
- LogP: 4.64270
Methyl 2,3-DI-O-benzyl-4,6-O-benzylidene-A-D-galactopyranoside Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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