Cas no 111863-65-1 (Adenosine,N,N''-1,12-dodecanediylbis- (9CI))
111863-65-1 structure
Product Name:Adenosine,N,N''-1,12-dodecanediylbis- (9CI)
CAS No:111863-65-1
MF:C32H48N10O8
MW:700.785726547241
CID:140286
PubChem ID:130691
Update Time:2025-04-19
Adenosine,N,N''-1,12-dodecanediylbis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine,N,N''-1,12-dodecanediylbis- (9CI)
- (2R,3R,4S,5R)-2-[6-[12-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]dodecylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- bis(N(6)-adenosyl)dodecane
- (2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[dodecane-1,12-diylbis(imino-9H-purine-6,9-diyl)]bis[5-(hydroxymethyl)tetrahydrofuran-3,4-diol] (non-preferred name)
- Adenosine, N,N'-1,12-dodecanediylbis-
- BNADD
- SCHEMBL7183072
- 111863-65-1
-
- Inchi： 1S/C32H48N10O8/c43-13-19-23(45)25(47)31(49-19)41-17-39-21-27(35-15-37-29(21)41)33-11-9-7-5-3-1-2-4-6-8-10-12-34-28-22-30(38-16-36-28)42(18-40-22)32-26(48)24(46)20(14-44)50-32/h15-20,23-26,31-32,43-48H,1-14H2,(H,33,35,37)(H,34,36,38)/t19-,20-,23-,24-,25-,26-,31-,32-/m1/s1
- InChI Key： UDFZRMFWXQQYTB-YHOFCQOESA-N
- SMILES： O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C=NC2C(=NC=NC1=2)NCCCCCCCCCCCCNC1C2=C(N=CN=1)N(C=N2)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)O)O
Computed Properties
- Exact Mass: 700.36604
- Monoisotopic Mass: 700.366
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 50
- Rotatable Bond Count: 19
- Complexity: 939
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 251?2
Experimental Properties
- Density: 1.62
- Boiling Point: 1029.9°Cat760mmHg
- Flash Point: 576.7°C
- Refractive Index: 1.746
- PSA: 251.1
- LogP: 0.76000
Adenosine,N,N''-1,12-dodecanediylbis- (9CI) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
111863-65-1 (Adenosine,N,N''-1,12-dodecanediylbis- (9CI)) Related Products
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- 17659-78-8(N-(3-Methylbutyl)adenosine)
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- 7724-76-7(N6-Isopentenyladenosine)
- 58-61-7(Adenosine)
- 1867-73-8(N6-Methyladenosine)
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