Cas no 32487-38-0 (Adenosine,8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI))
![Adenosine,8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI) structure](https://ossimg.kuujia.com/scimg/32500/32487-38-0x500.png)
32487-38-0 structure
Product Name:Adenosine,8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI)
CAS No:32487-38-0
MF:C17H18N5O6PS
MW:451.393482685089
CID:307089
PubChem ID:94432
Update Time:2025-04-19
Adenosine,8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine,8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI)
- 32487-38-0
- (4aR,6R,7R,7aS)-6-(6-amino-8-benzylsulfanylpurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
- 8-Thio-benzyl cyclic amp
- CHEMBL3142470
- 6-[6-Amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2,7-dihydroxytetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
- 8-S-Benzyl cyclic amp
- 8-((Phenylmethyl)thio)adenosine, cyclic 3',5'-(hydrogen phosphate)
- DTXSID70954228
- 8-Benzylthio-camp
-
- Inchi： 1S/C17H18N5O6PS/c18-14-11-15(20-8-19-14)22(17(21-11)30-7-9-4-2-1-3-5-9)16-12(23)13-10(27-16)6-26-29(24,25)28-13/h1-5,8,10,12-13,16,23H,6-7H2,(H,24,25)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
- InChI Key： XOQMHXSVDYQBOZ-XNIJJKJLSA-N
- SMILES： S(CC1C=CC=CC=1)C1=NC2C(N)=NC=NC=2N1[C@H]1[C@@H]([C@H]2[C@@H](COP(=O)(O)O2)O1)O
Computed Properties
- Exact Mass: 451.07174
- Monoisotopic Mass: 451.07154148g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 675
- 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: -0.2
- Topological Polar Surface Area: 180?2
Experimental Properties
- PSA: 154.84
Adenosine,8-[(phenylmethyl)thio]-, cyclic 3',5'-(hydrogen phosphate) (9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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