Cas no 28512-69-8 (Solaradixine)
Solaradixine structure
Product Name:Solaradixine
CAS No:28512-69-8
MF:C51H83NO21
MW:1046.19883847237
CID:259873
Update Time:2024-03-01
Solaradixine Chemical and Physical Properties
Names and Identifiers
-
- b-D-Galactopyranoside, (3b,22a,25R)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®
- 2)-O-b-D-glucopyranosyl-(1®
- 3)]- (9CI)
- LogP
- Solaradixine
-
- Inchi： 1S/C51H83NO21/c1-20-8-13-51(52-16-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)66-48-44(72-45-40(63)37(60)33(56)22(3)65-45)42(36(59)31(19-55)69-48)70-47-43(39(62)35(58)30(18-54)68-47)71-46-41(64)38(61)34(57)29(17-53)67-46/h6,20-22,24-48,52-64H,7-19H2,1-5H3/t20-,21?,22+,24+,25?,26?,27?,28?,29-,30-,31-,32?,33+,34-,35-,36+,37-,38+,39+,40-,41-,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1
- InChI Key： GIHGNUCHPKDXJW-UGOZKHDNSA-N
- SMILES： O1[C@]2(CC[C@@H](C)CN2)C(C)C2C1CC1C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O
Computed Properties
- Exact Mass: 1045.545759
- Monoisotopic Mass: 1045.545759
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 73
- Rotatable Bond Count: 11
- Complexity: 1940
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 26
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 338
Experimental Properties
- Density: 1.48
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.641
Solaradixine Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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