Cas no 1066-10-0 (Uridine, adenylyl-(3'®5')-uridylyl-(3'®5')- (9CI))
1066-10-0 structure
Product Name:Uridine, adenylyl-(3'®5')-uridylyl-(3'®5')- (9CI)
CAS No:1066-10-0
MF:C28H35N9O20P2
MW:879.573328256607
CID:233358
PubChem ID:71300911
Update Time:2025-04-19
Uridine, adenylyl-(3'®5')-uridylyl-(3'®5')- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5')-uridylyl-(3'®
- 5')- (9CI)
- Uridylyl(5'.3')uridylyl(5'.3')adenosine
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-h
- DTXSID30147654
- EINECS 213-906-8
- 1066-10-0
- Uridine, adenylyl-(3'®5')-uridylyl-(3'®5')- (9CI)
-
- Inchi： 1S/C28H35N9O20P2/c29-22-15-23(31-8-30-22)37(9-32-15)26-18(43)20(10(5-38)53-26)56-59(49,50)52-7-12-21(19(44)25(55-12)36-4-2-14(40)34-28(36)46)57-58(47,48)51-6-11-16(41)17(42)24(54-11)35-3-1-13(39)33-27(35)45/h1-4,8-12,16-21,24-26,38,41-44H,5-7H2,(H,47,48)(H,49,50)(H2,29,30,31)(H,33,39,45)(H,34,40,46)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,24-,25-,26-/m1/s1
- InChI Key： NLWZFFICVBSXGO-FIVCZYLNSA-N
- SMILES： P(=O)(O)(OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)O)O)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2C(N)=NC=NC1=2
Computed Properties
- Exact Mass: 420.179755
- Monoisotopic Mass: 420.179755
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 656
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102
- XLogP3: -8.3
Experimental Properties
- PSA: 439.84000
- LogP: -3.95280
Uridine, adenylyl-(3'®5')-uridylyl-(3'®5')- (9CI) Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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