Cas no 42467-66-3 (9H-Purin-2-amine,9-(3,5-O-phosphinico-b-D-ribofuranosyl)-)
42467-66-3 structure
Product Name:9H-Purin-2-amine,9-(3,5-O-phosphinico-b-D-ribofuranosyl)-
CAS No:42467-66-3
MF:C10H11N5NaO6P
MW:351.187772989273
CID:325150
PubChem ID:44755005
Update Time:2025-04-19
9H-Purin-2-amine,9-(3,5-O-phosphinico-b-D-ribofuranosyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-2-amine,9-(3,5-O-phosphinico-b-D-ribofuranosyl)-
- 2- AMINOPURINE RIBOSIDE- 3', 5'- MONOPHOSPHATE ( 2-NH2-CPUMP )
- 2-AMINOPURINE RIBOSIDE-3',5'-CYCLIC MONOPHOSPHATE SODIUM SALT
- 2,6,10,14,18-PENTAMETHYLHENEICOSANE
- 2-Aminopurine riboside 3',5'-monophosphoric acid
- 2-NH2-CPUMP SODIUM SALT
- 42467-66-3
-
- Inchi： 1S/C10H12N5O6P.Na/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7;/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14);/q;+1/p-1/t5-,6-,7-,9-;/m1./s1
- InChI Key： NXWBNSVDNPSFFE-OYUVGMAPSA-M
- SMILES： P1(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@H](N3C=NC4C=NC(N)=NC3=4)O2)O)O1.[Na+]
Computed Properties
- Exact Mass: 351.03400
- Monoisotopic Mass: 329.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 498
- 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
- Topological Polar Surface Area: 155A^2
Experimental Properties
- PSA: 167.48000
- LogP: 0.20200
9H-Purin-2-amine,9-(3,5-O-phosphinico-b-D-ribofuranosyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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
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