Cas no 55062-63-0 (4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one)
55062-63-0 structure
Product Name:4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
CAS No:55062-63-0
MF:C11H17N3O5
MW:271.269782781601
CID:1592840
PubChem ID:3036588
Update Time:2025-04-21
4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
- 4-amino-1-[(2R,3S,4S,5R)-5-(ethoxymethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
- 2(1H)-pyrimidinone, 4-amino-1-(5-O-ethyl-b-D-arabinofuranosyl)-
- 55062-63-0
- 1(1H)-Pyrimidinone, 4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)-
- 4-amino-1-[(2R,3S,4S,5R)-5-(ethoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one
- 4-Amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)-1(1H)-pyrimidinone
- DTXSID00203599
- 5'-O-Ethyl cytosine arabinoside
-
- Inchi: 1S/C11H17N3O5/c1-2-18-5-6-8(15)9(16)10(19-6)14-4-3-7(12)13-11(14)17/h3-4,6,8-10,15-16H,2,5H2,1H3,(H2,12,13,17)/t6-,8-,9+,10-/m1/s1
- InChI Key: QOKRAJPMALOJNQ-SFKDOBOXSA-N
- SMILES: O1[C@H]([C@H]([C@@H]([C@H]1COCC)O)O)N1C(N=C(C=C1)N)=O
Computed Properties
- Exact Mass: 271.117
- Monoisotopic Mass: 271.117
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 411
- 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: _1.4
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.6
- Boiling Point: 505.1°C at 760 mmHg
- Flash Point: 259.3°C
- Refractive Index: 1.657
4-amino-1-(5-O-ethyl-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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