Cas no 80955-61-9 (oligostatin D)
oligostatin D structure
Product Name:oligostatin D
CAS No:80955-61-9
MF:C37H65NO29
MW:987.901315450668
CID:986242
PubChem ID:196180
Update Time:2024-03-01
oligostatin D Chemical and Physical Properties
Names and Identifiers
-
- oligostatin D
- D-Glucose, O-4,6-dideoxy-4-((2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-,(1S-(1alpha,2alpha,3beta,4alpha,5beta,6beta))-
- 80955-61-9
- SCHEMBL5158685
-
- Inchi： 1S/C37H65NO29/c1-8-15(38-16-17(47)9(2-39)18(48)22(52)21(16)51)20(50)26(56)34(60-8)65-31-12(5-42)62-36(28(58)24(31)54)67-33-14(7-44)63-37(29(59)25(33)55)66-32-13(6-43)61-35(27(57)23(32)53)64-30(11(46)4-41)19(49)10(45)3-40/h3,8-39,41-59H,2,4-7H2,1H3/t8-,9+,10+,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m1/s1
- InChI Key： RGAFWPFVZNHAQS-IGAKGDEGSA-N
- SMILES： O([C@@H]1[C@@H]([C@@H](O)[C@H](O[C@@]2([H])O[C@H](C)[C@@H](N[C@]3([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)[C@H]3O)O)[C@H](O)[C@H]2O)[C@@H](CO)O1)O)[C@@]1([H])[C@@H]([C@@H](O)[C@@H](O[C@@]2([H])[C@@H]([C@@H](O)[C@@H](O[C@]([H])([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@@H]2CO)O)O[C@@H]1CO)O
Computed Properties
- Exact Mass: 987.36422504g/mol
- Monoisotopic Mass: 987.36422504g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 21
- Hydrogen Bond Acceptor Count: 30
- Heavy Atom Count: 67
- Rotatable Bond Count: 19
- Complexity: 1510
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 30
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -13.2
- Topological Polar Surface Area: 508?2
oligostatin D Related Literature
-
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
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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