Cas no 85411-35-4 (Saframycin R)
Saframycin R structure
Product Name:Saframycin R
CAS No:85411-35-4
MF:C31H34N4O10
MW:622.622468471527
CID:730779
PubChem ID:160094
Update Time:2024-03-01
Saframycin R Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-b][3]benzazocin-1-ylester
- Acetic acid,2-hydroxy-,(6S,7R,9R,14aS,15R)-7-cyano-9-[[(1,2-dioxopropyl)amino]methyl]-6,7,9,10,13,14,14a,15-octahydro-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino[3,2-
- saframycin R
- [(1S,2S,10R,12R,13R)-12-cyano-16-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-19-yl] 2-hydroxyacetate
- 106209-14-7
- 7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate
- 85411-35-4
- Acetic acid, hydroxy-, 7-cyano-9-(((1,2-dioxopropyl)amino)methyl)-1,5,6,7,9,14,14a,15-octahydro-10-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4-dioxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-13-yl ester, (6S-(6-alpha,7-alpha,9-beta,14a-alpha,15-alpha))-
- DTXSID10909959
- Saframycin R
-
- Inchi: 1S/C31H34N4O10/c1-12-25(39)15-8-18-24-23-16(26(40)13(2)29(44-6)30(23)45-21(38)11-36)7-17(34(24)4)19(9-32)35(18)20(10-33-31(42)14(3)37)22(15)27(41)28(12)43-5/h17-20,24,36,40H,7-8,10-11H2,1-6H3,(H,33,42)/t17-,18+,19+,20+,24-/m1/s1
- InChI Key: GATZXGIUISULHU-WDDJOWQOSA-N
- SMILES: O(C(CO)=O)C1=C(C(C)=C(C2=C1[C@H]1[C@@H]3CC4C(C(C)=C(C(C=4[C@H](CNC(C(C)=O)=O)N3[C@@H](C#N)[C@@H](C2)N1C)=O)OC)=O)O)OC
Computed Properties
- Exact Mass: 622.227
- Monoisotopic Mass: 622.227
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 45
- Rotatable Bond Count: 8
- Complexity: 1430
- 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
- Topological Polar Surface Area: 196
- XLogP3: 0.1
Experimental Properties
- Density: 1.48
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.653
Saframycin R Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
85411-35-4 (Saframycin R) 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
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
CN Supplier
Reagent