Basic information
- CAS
146-80-5- Standard SMILES
O=c1[nH]c(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1- InChIKey
UBORTCNDUKBEOP-UHFFFAOYSA-N- Molecular formula
- C10H12N4O6
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.07568412
Overview
9-beta-D-Ribofuranosylxanthine has been reported in Camellia sinensis and Escherichia coli with data available.
Names & identifiers
- Preferred name
- 9-beta-D-Ribofuranosylxanthine
- IUPAC
- 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
- English name
- XANTHOSINE
- Molecular formula
- C10H12N4O6
- Molecular weight
- 284.23
Names & synonyms
9-.beta.-D-Ribofuranosylxanthine.beta.-D-Ribofuranoside, xanthine-99-pentofuranosyl-9H-purine-2,6-diol9-pentofuranosyl-3,9-dihydro-1H-purine-2,6-dione9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione1H-Purine-2,6-dione, 3,9-dihydro-9-.beta.-D-ribofuranosyl-orb1222680orb1297640SCHEMBL6676995SCHEMBL7076967CHEMBL1880013UBORTCNDUKBEOP-UHFFFAOYSA-N
Show more names
1g1-Benzyl-3,3-difluoropiperidin-4-one9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purine-2,6-diol1-(Tetrahydrofuran-3-yl)piperazine4-broMo-1-ethyl-5-nitro-1H-pyrazolelithiuM trihydroxy(4-Methylpyridin-2-yl)borate2,4-dichloro-6,8-dihydro-5H-thiopyrano[3,4-d]pyriMidineTert-butyl 3-broMo-7,8-dihydro-[1,2,4]triazolo[4,3-c]pyriMidine-6(5H)-carboxylateXrXao
HTS10124NSC18930s9369STK246877STK6819209-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dioneAKOS005422623AKOS005596524
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 174 · 174~176℃
- Density
- 2.25 · 2.25±0.1 g/cm3(Predicted)
- refractive index
- -52 ° · -52 ° (C=8, 0.3mol/L NaOH)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 1 · pK1:<2.5(+1);pK2:5.67(0);pK3:12.00(-1) (25°C)
- color
- White to Off-White
- Merck
- 14 · 14,10065
- Stability
- Hygroscopic
- InChI
- 1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1
- InChIKey
- UBORTCNDUKBEOP-UUOKFMHZSA-N
- SMILES
- O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(NC(N3)=O)=O)O[C@@H]1CO
- CAS DataBase Reference
- 146 · 146-80-5(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29349990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H332-H314
- Precautionary statements
- P501-P260-P270-P271-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Applications
UsesXanthosine-13C5, is the labeled analogue of Xanthosine (X742100), the deamination product of Guanosine. It is also a potential biomarker for detecting radiation exposure.
UsesThe deamination product of Guanosine. Potential biomarker for detecting radiation exposure. XANTHOSINE is used in the amplification of DNA isothermal strand displacement.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
Related reactions
1 records
Compound notes
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