Cas no 1130635-75-4 (Hydroxy Darunavir)
Hydroxy Darunavir structure
Product Name:Hydroxy Darunavir
CAS No:1130635-75-4
MF:C27H37N3O8S
MW:563.662986516953
CID:1062148
PubChem ID:71748962
Update Time:2025-04-20
Hydroxy Darunavir Chemical and Physical Properties
Names and Identifiers
-
- Hydroxy Darunavir
- [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-hydroxy-2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
- Carbamic acid, N-((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-hydroxy-2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester
- UNII-US8D8UZX05
- DTXSID20857750
- US8D8UZX05
- R-426857
- Hydroxydarunavir (metabolite 23, R426857)
- R426857
- Hexahydrofuro[2,3-b]furan-3-yl N-[3-[[(4-aminophenyl)sulfonyl](2-hydroxy-2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
- (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-hydroxy-2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
- Carbamic acid, N-[3-[[(4-aminophenyl)sulfonyl](2-hydroxy-2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester
- 1130635-75-4
- N-[3-[[(4-aminophenyl)sulfonyl](2-hydroxy-2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid Hexahydrofuro[2,3-b]furan-3-yl Ester
- 1809154-88-8
- Darunavir metabolite M23
-
- Inchi: 1S/C27H37N3O8S/c1-27(2,33)17-30(39(34,35)20-10-8-19(28)9-11-20)15-23(31)22(14-18-6-4-3-5-7-18)29-26(32)38-24-16-37-25-21(24)12-13-36-25/h3-11,21-25,31,33H,12-17,28H2,1-2H3,(H,29,32)/t21-,22-,23+,24-,25+/m0/s1
- InChI Key: XGXCRIIMIUNTCF-ARXROMJUSA-N
- SMILES: S(C1C=CC(=CC=1)N)(N(CC(C)(C)O)C[C@H]([C@H](CC1C=CC=CC=1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)(=O)=O
Computed Properties
- Exact Mass: 563.23000
- Monoisotopic Mass: 563.23013632g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 39
- Rotatable Bond Count: 12
- Complexity: 899
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 169?2
Experimental Properties
- PSA: 172.52000
- LogP: 3.35660
Hydroxy Darunavir Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H931750-1mg |
Hydroxy Darunavir |
1130635-75-4 | 1mg |
$207.00 | 2023-05-18 | ||
| TRC | H931750-10mg |
Hydroxy Darunavir |
1130635-75-4 | 10mg |
$1642.00 | 2023-05-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-491385-1 mg |
Hydroxy Darunavir, |
1130635-75-4 | 1mg |
¥2,858.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-491385-1mg |
Hydroxy Darunavir, |
1130635-75-4 | 1mg |
¥2858.00 | 2023-09-05 | ||
| TRC | H931750-25mg |
Hydroxy Darunavir |
1130635-75-4 | 25mg |
$ 4500.00 | 2023-09-07 |
Hydroxy Darunavir Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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