Basic information
- CAS
489-59-8- Standard SMILES
Nc1nc(=O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
RGNOTKMIMZMNRX-XVFCMESISA-N- Molecular formula
- C9H13N3O5
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.08552052
Names & identifiers
- Preferred name
- Isocytidine
- IUPAC
- 2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
- English name
- isocytidine
- Molecular formula
- C9H13N3O5
- Molecular weight
- 243.22
Names & synonyms
Isocytidine489-59-8RefChem:1492432-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-4(1H)-oneMFCD255424672-Amino-1-beta-D-ribofuranosyl-4(1H)-pyrimidinone2-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-oneorb1908919SCHEMBL2779073DTXSID40964137TNU00491-(2-Amino-4-oxo-1(4H)-pyrimidinyl)-1-deoxy-beta-D-ribofuranose
Show more names
iso-CrlsocytidineIsocytidine(6CI,8CI)2-AMino-1-β-D-ribofuranosyl-4(1H)-pyriMidinone4(1H)-Pyrimidinone,2-amino-1-b-D-ribofuranosyl-4(1H)-Pyrimidinone, 2-amino-1-β-D-ribofuranosyl-2-amino-1-(beta-D-ribofuranosyl)pyrimidin-4(1H)-oneIsocytidine，2-Amino-1-beta-D-ribofuranosyl-4(1H)-pyrimidinone
NI24672DB-265291F127532-Amino-1-?-D-ribofuranosyl-4(1H)-pyrimidinone2-Imino-1-pentofuranosyl-1,2-dihydropyrimidin-4-ol4(1H)-Pyrimidinone, 2-amino-1-beta-D-ribofuranosyl-Q156327412-Imino-1-beta-D-ribofuranosyl-1,2-dihydropyrimidin-4-ol
Database identifiers
- CAS
489-59-8- PubChem CID
- 65031
- DTXSID
DTXSID40964137
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 125 · 125-128 °C
- Boiling point
- 545.678 · 545.678±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.894 · 1.894±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.3 · 4.3
Chemistry & industry
Applications
UsesAn isomer of Cytidine (C998300); a constituent of nucleic acid. It is converted to isocytosine and uracil during metabolism in Escherichia coli.
Suppliers34 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
安徽仕通生物科技有限公司15555170917 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
郑州格然林医药科技有限公司0371-85513397 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…