Cas no 55039-05-9 (1-(5-methyl-beta-D-ribofuranosyluronosyl)pyrimidine-2,4(1H,3H)-dione)
55039-05-9 structure
Product Name:1-(5-methyl-beta-D-ribofuranosyluronosyl)pyrimidine-2,4(1H,3H)-dione
CAS No:55039-05-9
MF:C10H12N2O7
MW:272.211483001709
CID:1591333
PubChem ID:150667
Update Time:2025-04-21
1-(5-methyl-beta-D-ribofuranosyluronosyl)pyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-methyl-beta-D-ribofuranosyluronosyl)pyrimidine-2,4(1H,3H)-dione
- methyl (2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxylate
- Methyl 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronate
- 55039-05-9
- beta-D-ribofuranuronic acid, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, methyl ester
- DTXSID30203582
-
- Inchi： 1S/C10H12N2O7/c1-18-9(16)7-5(14)6(15)8(19-7)12-3-2-4(13)11-10(12)17/h2-3,5-8,14-15H,1H3,(H,11,13,17)/t5-,6+,7-,8+/m0/s1
- InChI Key： KBXLPOOODXHSKA-FKSUSPILSA-N
- SMILES： O1[C@H](C(=O)OC)[C@H]([C@H]([C@@H]1N1C=CC(NC1=O)=O)O)O
Computed Properties
- Exact Mass: 272.064
- Monoisotopic Mass: 272.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 449
- 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: -1.7
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.651
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.614
1-(5-methyl-beta-D-ribofuranosyluronosyl)pyrimidine-2,4(1H,3H)-dione Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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