Cas no 59862-05-4 (4-amino-1-(beta-D-glucopyranuronosyl)pyrimidin-2(1H)-one)
59862-05-4 structure
Product Name:4-amino-1-(beta-D-glucopyranuronosyl)pyrimidin-2(1H)-one
CAS No:59862-05-4
MF:C10H13N3O7
MW:287.226122617722
CID:1617290
PubChem ID:191536
Update Time:2025-04-21
4-amino-1-(beta-D-glucopyranuronosyl)pyrimidin-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-1-(beta-D-glucopyranuronosyl)pyrimidin-2(1H)-one
- cytosyl-beta-D-glucuronic acid
- Pentopyranic acid
- Q27225435
- 1-(beta-D-glucuronosyl)cytosine
- (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
- beta-D-Glucopyranuronic acid, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-deoxy-
- 59862-05-4
- 1-Hexopyranuronosyl-4-imino-1,4-dihydropyrimidin-2-ol
- DTXSID00975264
- CHEBI:132133
- (2S,3S,4S,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
- 4-amino-1-beta-D-glucopyranuronosylpyrimidin-2(1H)-one
- 7QO
- Cytosylglucuronic acid
- 1-(beta-D-Glucopyranosyluronic acid)cytosine
-
- Inchi： 1S/C10H13N3O7/c11-3-1-2-13(10(19)12-3)8-6(16)4(14)5(15)7(20-8)9(17)18/h1-2,4-8,14-16H,(H,17,18)(H2,11,12,19)/t4-,5-,6+,7-,8+/m0/s1
- InChI Key： CHKIQPXDGYGCHW-YOWKYNACSA-N
- SMILES： O1[C@H](C(=O)O)[C@H]([C@@H]([C@H]([C@@H]1N1C(N=C(C=C1)N)=O)O)O)O
Computed Properties
- Exact Mass: 287.07535
- Monoisotopic Mass: 287.07535
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 491
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.1
- Topological Polar Surface Area: 166
Experimental Properties
- Density: 2.06
- Boiling Point: 640.6°C at 760 mmHg
- Flash Point: 341.2°C
- Refractive Index: 1.79
4-amino-1-(beta-D-glucopyranuronosyl)pyrimidin-2(1H)-one Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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