Basic information
- CAS
1147-23-5- Standard SMILES
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I- InChIKey
LQQGJDJXUSAEMZ-UAKXSSHOSA-N- Molecular formula
- C9H12IN3O5
- Average molar mass
- 369.11 g/mol
- Monoisotopic mass
- 368.98216848
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Iodocytidine
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
- English name
- 5-Iodocytidine
- Molecular formula
- C9H12IN3O5
- Molecular weight
- 369.11
Names & synonyms
5-Iodocytidine1147-23-5IodocytidineRefChem:1485245-Iodo-cytidineCytidine, 5-iodo-MFCD000560704-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-oneC9H12IN3O55-iodo-d-cytidine5-lodo-cytidine(5-I-Cr)
Show more names
5-IC5-I-Cr5-IODOCYTIDINE,99+%5-Iodocytidine USP/EP/BP1-D-Ribofuranosyl-5-iodocytosine
SCHEMBL770112orb1908945DTXSID00921468TNU0021LQQGJDJXUSAEMZ-UAKXSSHOSA-N1-b-D-Ribofuranosyl-5-iodocytosineCytidine, 5-iodo-; 5-IodocytidineHG1328
Database identifiers
- CAS
1147-23-5- PubChem CID
- 159359
- DTXSID
DTXSID00921468
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 160 °C · >160°C (dec.)
- Boiling point
- 565.5 · 565.5±60.0 °C(Predicted)
- Density
- 2.52 · 2.52±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 13.48 · 13.48±0.70(Predicted)
- form
- Crystalline or Powder
- color
- White to Off-white
- Sensitive
- Light Sensitive
- Stability
- Light Sensitive
- InChI
- InChI=1S/C9H12IN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
- InChIKey
- LQQGJDJXUSAEMZ-UAKXSSHOSA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=C(I)C(N)=NC2=O)[C@H](O)[C@@H]1O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety data
- hs_code
- 29389090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses5-Iodocytidine is an intermediate for research in the field of nucleic acids and nucleic acid-protein interactions
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
上海瑶玥生物科技有限公司18744021595 18221004621 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
3 records
Compound notes
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