Cas no 190317-46-5 (5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-)
190317-46-5 structure
Product Name:5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-
CAS No:190317-46-5
MF:C24H45NO10
MW:507.614808797836
CID:198520
PubChem ID:3083518
Update Time:2025-04-19
5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-
- (3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(13-hydroxy-9-oxotridecyl)pyrrolidin-3-yl beta-D-glucopyranoside
- 5-Tridecanone, 13-((2R,3R,4S,5R)-3-(.beta.-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1-hydroxy-
- Broussonetine B
- 1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5R,6 R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-pyrrolidin-2-yl]tri decan-5-one
- 4-Hydroxy-5-(hydroxymethyl)-2-(13-hydroxy-9-oxotridecyl)pyrrolidin-3-yl hexopyranoside
- 190317-46-5
- 1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-5-one
- DTXSID60940579
-
- Inchi: 1S/C24H45NO10/c26-12-8-7-10-15(29)9-5-3-1-2-4-6-11-16-23(19(30)17(13-27)25-16)35-24-22(33)21(32)20(31)18(14-28)34-24/h16-28,30-33H,1-14H2/t16?,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
- InChI Key: XRCYKIVYVCRJAM-OWASOCSESA-N
- SMILES: O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@H]([C@@H](CO)NC1CCCCCCCCC(CCCCO)=O)O
Computed Properties
- Exact Mass: 507.30445
- Monoisotopic Mass: 507.304
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 35
- Rotatable Bond Count: 17
- Complexity: 597
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 189?2
Experimental Properties
- Density: 1.3
- Boiling Point: 761.2°C at 760 mmHg
- Flash Point: 414.2°C
- Refractive Index: 1.568
- PSA: 189.17
5-Tridecanone,13-[(2R,3R,4S,5R)-3-(b-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides of mono- and disaccharides
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides
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