Cas no 62098-50-4 (cyclogentiotetraose peracetate)
62098-50-4 structure
Product Name:cyclogentiotetraose peracetate
CAS No:62098-50-4
MF:C48H64O32
MW:1153.00257873535
CID:507346
Update Time:2023-03-29
cyclogentiotetraose peracetate Chemical and Physical Properties
Names and Identifiers
-
- cyclogentiotetraose peracetate
- 6)-1,6'''-anhydro-, triacetate (9CI
- 6)-1,6'''-anhydro-, triacetate (9CI)
- 6)-O-2,3,4-tri-O-acetyl-b-D-glucopyranosyl-(1®
- β-D-Glucopyranose, O-2,3,4-tri-O-acetyl-β-D-glucopyranosyl-(1→6)-O-2,3,4-tri-O-acetyl-β-D-glucopyranosyl-(1→6)-O-2,3,4-tri-O-acetyl-β-D-glucopyranosyl-(1→6)-1,6'''-anhydro-, triacetate (9CI)
-
- Inchi： 1S/C48H64O32/c1-17(49)65-33-29-13-61-46-42(74-26(10)58)38(70-22(6)54)35(67-19(3)51)31(78-46)15-63-48-44(76-28(12)60)40(72-24(8)56)36(68-20(4)52)32(80-48)16-64-47-43(75-27(11)59)39(71-23(7)55)34(66-18(2)50)30(79-47)14-62-45(77-29)41(73-25(9)57)37(33)69-21(5)53/h29-48H,13-16H2,1-12H3/t29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
- InChI Key： IKUIXYHLNKOZNO-IHBCRZMDSA-N
- SMILES： O([C@@H]1[C@H]([C@]2([H])OC[C@@]3([H])O[C@@]([H])(OC[C@]4([H])[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]([H])(O4)OC[C@]4([H])[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]([H])(O4)OC[C@@]([H])(O2)[C@H]1OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]3OC(=O)C)OC(=O)C)C(=O)C
Computed Properties
- Exact Mass: 1152.33807
- Monoisotopic Mass: 1152.33807
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 32
- Heavy Atom Count: 80
- Rotatable Bond Count: 24
- Complexity: 1990
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 20
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 389
cyclogentiotetraose peracetate Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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