Cas no 141677-55-6 (Cholestane-3,6-diol,3-(hydrogen sulfate), monosodium salt, (3b,5a,6a)- (9CI))
141677-55-6 structure
Product Name:Cholestane-3,6-diol,3-(hydrogen sulfate), monosodium salt, (3b,5a,6a)- (9CI)
CAS No:141677-55-6
MF:C27H48NaO5S
MW:507.72179889679
CID:161206
PubChem ID:6336041
Update Time:2025-04-19
Cholestane-3,6-diol,3-(hydrogen sulfate), monosodium salt, (3b,5a,6a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cholestane-3,6-diol,3-(hydrogen sulfate), monosodium salt, (3b,5a,6a)- (9CI)
- 6alpha-Hydroxy-5alpha-cholestan-3beta-yl sulfate
- 6-Hydroxycholestan-3-yl sulfate
- 6-Hydroxycholestan-3-yl sulfate, monosodium salt
- 6-OH-Cholest-3-SO4
- Cholestane-3,6-diol, 3-(hydrogen sulfate), monosodium salt, (3beta,5alpha,6alpha)-
- 141677-55-6
- 6-Hydroxycholestan-3-yl hydrogen sulfate--sodium (1/1)
- DTXSID20931160
-
- Inchi： 1S/C27H48O5S.Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28)24-15-19(32-33(29,30)31)11-13-27(24,5)23(20)12-14-26(21,22)4;/h17-25,28H,6-16H2,1-5H3,(H,29,30,31);/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-;/m1./s1
- InChI Key： PXLRLNZSUXOROR-KDYNESQISA-N
- SMILES： S(=O)(=O)(O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@H](C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21)O.[Na]
Computed Properties
- Exact Mass: 483.31461
- Monoisotopic Mass: 507.31201508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 7
- Complexity: 791
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.2?2
Experimental Properties
- PSA: 86.66
Cholestane-3,6-diol,3-(hydrogen sulfate), monosodium salt, (3b,5a,6a)- (9CI) Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
141677-55-6 (Cholestane-3,6-diol,3-(hydrogen sulfate), monosodium salt, (3b,5a,6a)- (9CI)) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent