Cas no 102338-86-3 (1,3-Benzenediol,5-pentadecyl-, 1,3-bis(hydrogen sulfate))
102338-86-3 structure
Product Name:1,3-Benzenediol,5-pentadecyl-, 1,3-bis(hydrogen sulfate)
CAS No:102338-86-3
MF:C21H36O8S2
MW:480.635745048523
CID:170461
PubChem ID:20507719
Update Time:2025-04-19
1,3-Benzenediol,5-pentadecyl-, 1,3-bis(hydrogen sulfate) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,5-pentadecyl-, 1,3-bis(hydrogen sulfate)
- 1,3-Benzenediol,5-pentadecyl-, bis(hydrogen sulfate) (9CI)
- 5-pentadecylbenzene-1,3-diol,sulfo hydrogen sulfate
- SCHEMBL11165185
- BRN 2682664
- Panosialin-IA
- Resorcinol, 5-pentadecyl-, disulfate (ester)
- 102338-86-3
- Panosialin B
- CHEBI:199420
- CHEMBL3598229
- (3-pentadecyl-5-sulooxyphenyl) hydrogen sulate
-
- Inchi： 1S/C21H36O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(28-30(22,23)24)18-21(17-19)29-31(25,26)27/h16-18H,2-15H2,1H3,(H,22,23,24)(H,25,26,27)
- InChI Key： USQVRFZEIYYKND-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)OC1C=C(C=C(C=1)CCCCCCCCCCCCCCC)OS(=O)(=O)O
Computed Properties
- Exact Mass: 498.195725g/mol
- Monoisotopic Mass: 498.195725g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 32
- Rotatable Bond Count: 16
- Complexity: 465
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 498.7g/mol
- Topological Polar Surface Area: 175?2
- XLogP3: 7.9
Experimental Properties
- PSA: 175.19000
- LogP: 7.50170
1,3-Benzenediol,5-pentadecyl-, 1,3-bis(hydrogen sulfate) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
102338-86-3 (1,3-Benzenediol,5-pentadecyl-, 1,3-bis(hydrogen sulfate)) Related Products
- 1638-22-8(4-Butylphenol)
- 621-27-2(3-Propylphenol)
- 104-43-8(4-Dodecylphenol)
- 500-67-4(5-Heptylresorcinol)
- 622-64-0(4-(2-(Dimethylamino)ethyl)phenol sulfate)
- 2525-05-5(4-Butyl-1,2-dihydroxy benzene)
- 56469-10-4(5-(1,1-Dimethylheptyl)resorcinol)
- 14938-35-3(4-Pentylphenol)
- 500-66-3(Olivetol)
- 645-56-7(4-Propylphenol)
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