Cas no 97590-76-6 ((2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol)
97590-76-6 structure
Product Name:(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CAS No:97590-76-6
MF:C13H18O6
MW:270.278424739838
CID:1989323
PubChem ID:11076491
Update Time:2025-04-21
(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol Chemical and Physical Properties
Names and Identifiers
-
- (2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
- 3-O-benzylglucose
- 3-O-benzyl-D-glucose
- 3-O-benzyl glucose
- ZINC15657720
- AKOS015910542
- 3-O-benzyl-Glc
- I14-40114
- EINECS 307-256-5
- MFCD00051212
- 3-O-Benzyl-beta-D-glucose
- D-Glucose,3-O-(phenylmethyl)-
- W-200666
- DTXSID60243057
- SCHEMBL22034477
- 97590-76-6
- 10230-17-8
-
- Inchi： 1S/C13H18O6/c14-6-9-10(15)12(11(16)13(17)19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11-,12+,13-/m1/s1
- InChI Key： FYEFQDXXKFUMOJ-NJMOYASZSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)OCC1C=CC=CC=1)O)O
Computed Properties
- Exact Mass: 270.11033829Da
- Monoisotopic Mass: 270.11033829Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 99.4?2
Experimental Properties
- Density: 1.351
- Boiling Point: 551.986°C at 760 mmHg
- Flash Point: 211.264°C
- Refractive Index: 1.583
(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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