Cas no 40031-16-1 (b-D-Glucofuranose, pentabenzoate(9CI))
40031-16-1 structure
Product Name:b-D-Glucofuranose, pentabenzoate(9CI)
CAS No:40031-16-1
MF:C41H32O11
MW:700.686192512512
CID:332412
PubChem ID:236122
Update Time:2025-04-19
b-D-Glucofuranose, pentabenzoate(9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucofuranose, pentabenzoate(9CI)
- 1,2,3,5,6-penta-o-benzoylhexofuranose
- AC1L5VWN
- AC1Q62FB
- AR-1B5197
- CTK1D8334
- KST-1B4858
- NSC231871
- NSC38175
- NSC232043
- NSC-232043
- 40031-15-0
- NSC-231871
- 40031-16-1
- NSC-38175
- DTXSID40284660
-
- Inchi： 1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32(48-37(43)28-18-8-2-9-19-28)33-34(49-38(44)29-20-10-3-11-21-29)35(50-39(45)30-22-12-4-13-23-30)41(51-33)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2
- InChI Key： IAWBDGWDEQIAPH-UHFFFAOYSA-N
- SMILES： O1C(C(C(C1C(COC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O)OC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 700.19400
- Monoisotopic Mass: 700.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 52
- Rotatable Bond Count: 17
- Complexity: 1190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 141?2
Experimental Properties
- Density: 1.37
- Boiling Point: 805.4°C at 760 mmHg
- Flash Point: 326.6°C
- Refractive Index: 1.649
- PSA: 140.73000
- LogP: 6.10210
b-D-Glucofuranose, pentabenzoate(9CI) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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