Cas no 485-83-6 ([(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methox yphosphonic acid)
![[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methox yphosphonic acid structure](https://ossimg.kuujia.com/scimg/500/485-83-6x500.png)
485-83-6 structure
Product Name:[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methox yphosphonic acid
CAS No:485-83-6
MF:C10H13N4O8P
MW:348.205982923508
CID:932009
Update Time:2023-03-27
[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methox yphosphonic acid Chemical and Physical Properties
Names and Identifiers
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- [(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methox yphosphonic acid
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- Inchi： 1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6+,7-,10-/m1/s1
- InChI Key： GRSZFWQUAKGDAV-GAWUUDPSSA-N
- SMILES： O(P(O)(O)=O)C[C@@H]1[C@H](O)[C@@H](O)[C@H](N2C3=C(N=C2)C(=O)N=CN3)O1
Computed Properties
- Exact Mass: 348.0471
- Monoisotopic Mass: 348.0471
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 555
- 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: _3.7
- Topological Polar Surface Area: 176
[(2R,3R,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methox yphosphonic acid Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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