Cas no 13309-27-8 (6,7-dihydrovincaleukoblastine)
6,7-dihydrovincaleukoblastine structure
Product Name:6,7-dihydrovincaleukoblastine
CAS No:13309-27-8
MF:C46H60N4O9
MW:812.990013122559
CID:1231503
PubChem ID:197141
Update Time:2025-04-20
6,7-dihydrovincaleukoblastine Chemical and Physical Properties
Names and Identifiers
-
- 6,7-dihydrovincaleukoblastine
- BRN 0605147
- Vincaleukoblastine, 6,7-dihydro-
- Dihydrovinblastine
- DTXSID30927933
- Dihydrovincaleukoblastine
- 13309-27-8
-
- Inchi： 1S/C46H60N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-11,13-14,21-22,28,37-39,47,54-55H,8-9,12,15-20,23-26H2,1-7H3
- InChI Key： CWRJYPJHZKVJAX-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(C(=O)OC)(C2C3(C4C=C(C5(C(=O)OC)C6=C(C7C=CC=CC=7N6)CCN6CC(CC)(CC(C6)C5)O)C(=CC=4N2C)OC)CCN2CCCC1(CC)C23)O
Computed Properties
- Exact Mass: 811.42847
- Monoisotopic Mass: 812.43602950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 59
- Rotatable Bond Count: 10
- Complexity: 1650
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 154?2
Experimental Properties
- PSA: 151.2
6,7-dihydrovincaleukoblastine Related Literature
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
13309-27-8 (6,7-dihydrovincaleukoblastine) Related Products
- 38390-45-3(3',4'-Anhydrovinblastine)
- 57-22-7(Vincristine)
- 865-21-4(vinblastine)
- 18172-50-4(N-Desmethyl Vinblastine)
- 23360-92-1(Vinleurosine)
- 54022-49-0(N-Formyl Leurosine)
- 81165-17-5(Anhydro Vinblastine Disulfate Salt)
- 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)
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