Cas no 40297-54-9 (N6-(PARA-NITROBENZYL)ADENOSINE)
40297-54-9 structure
Product Name:N6-(PARA-NITROBENZYL)ADENOSINE
CAS No:40297-54-9
MF:C17H18N6O6
MW:402.361423015594
CID:882193
PubChem ID:97481
Update Time:2025-04-19
N6-(PARA-NITROBENZYL)ADENOSINE Chemical and Physical Properties
Names and Identifiers
-
- N6-(PARA-NITROBENZYL)ADENOSINE
- 6-(4-nitrobenzylamino)purine riboside
- N6-(4-Nitrobenzyl)-adenosin
- N6-(4-nitro-benzyl)-adenosine
- N6-(p-Nirobenzyl)adenosine
- N6-(p-nitrobenzyl)adenosine
- N6-(p-nitrobenzyl)-adenosine
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- Inchi: 1S/C17H18N6O6/c24-6-11-13(25)14(26)17(29-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
- InChI Key: VAQMNFPQRLLRMG-LSCFUAHRSA-N
- SMILES: O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)NCC1C=CC(=CC=1)[N+](=O)[O-])O)O
Computed Properties
- Exact Mass: 402.12900
- Monoisotopic Mass: 402.12878232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 573
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 171?2
Experimental Properties
- PSA: 171.37000
- LogP: 0.55430
N6-(PARA-NITROBENZYL)ADENOSINE Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
40297-54-9 (N6-(PARA-NITROBENZYL)ADENOSINE) Related Products
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