Basic information
- CAS
717876-96-5- Standard SMILES
COc1cccc(C(OC[C@H]2O[C@@H](n3cc(I)c(N=CN(C)C)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccccc2)c1OC- InChIKey
WLEOYCFXWIPSFX-FRXPANAUSA-N- Molecular formula
- C33H35IN4O6
- Average molar mass
- 710.6 g/mol
- Monoisotopic mass
- 710.16013
Names & identifiers
- Preferred name
- 5'-O-(Dimethoxytrityl)-N4-dimethylaminomethylidene-5-iodo-2'-deoxycytidine
- IUPAC
- N'-[1-[(2R,4S,5R)-5-[[(2,3-dimethoxyphenyl)-diphenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-iodo-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
- English name
- 5'-O-(Dimethoxytrityl)-N4-dimethylaminomethylidene-5-iodo-2'-deoxycytidine
- Molecular formula
- C33H35IN4O6
- Molecular weight
- 710.56
Names & synonyms
717876-96-55'-O-(DIMETHOXYTRITYL)-N4-DIMETHYLAMINOMETHYLIDENE-5-IODO-2'-DEOXYCYTIDINEDTXSID607035452'-Deoxy-5'-O-[(2,3-dimethoxyphenyl)(diphenyl)methyl]-N-[(dimethylamino)methylidene]-5-iodocytidine5-O-(Dimethoxytrityl)-N4-(dimethylaminomethylidene)-5-iodo-2'-deoxycytidine2'-Deoxy-5'-O-[(2,3-dimethoxyphenyl)di(phenyl)methyl]-N-[(dimethylamino)methylidene]-5-iodocytidine5'-O-(DMT)-N4-(DMF)-5-IODO-2'-DEOXYCYTIDINECytidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-[(dimethylamino)methylene]-5-iodo- (9CI)
Database identifiers
- CAS
717876-96-5- PubChem CID
- 53471065
- DTXSID
DTXSID60703545
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Boiling point
- 754.986 · 754.986±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.447 · 1.447±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.988 · 13.988±0.60(predicted)
Chemistry & industry
Suppliers4 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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