Basic information
- CAS
68498-26-0- Standard SMILES
O=c1n([C@H]2C[C@H](O)[C@@H](CO)O2)ccc2nccn12- InChIKey
UFLBVEMEAYZXKY-QXFUBDJGSA-N- Molecular formula
- C11H13N3O4
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.0906059
Names & identifiers
- Preferred name
- Ethenodeoxycytidine
- IUPAC
- 6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one
- English name
- 3,N(4)-ethenodeoxycytidine
- Molecular formula
- C11H13N3O4
- Molecular weight
- 251.24
Names & synonyms
68498-26-03,N(4)-Ethenodeoxycytidine3,N(4)-Etheno-2'-deoxycytidineImidazo(1,2-c)pyrimidin-5(6H)-one, 6-(2-deoxy-beta-D-erythro-pentofuranosyl)-Imidazo[1,2-c]pyrimidin-5(6H)-one, 6-(2-deoxy-beta-D-erythro-pentofuranosyl)-RefChem:921218EthenodeoxycytidineN4-Etheno 2'-deoxycytidine6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-c]pyrimidin-5-one3,n4-etheno-2'-deoxycytidine6-(2-Deoxy-beta-D-erythro-pentofuranosyl)imidazo(1,2-c)pyrimidin-5(6H)-one6-((2R,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)IMIDAZO[1,2-C]PYRIMIDIN-5(6H)-ONE
Show more names
3,N4-Etheno-2’-deoxycytidine3,N(4)-Etheno-2’-deoxycytidine, DNA adduct edCImidazo[1,2-c]pyrimidin-5(6H)-one, 6-(2-deoxy-β-D-erythro-pentofuranosyl)-
3,n4-ethenodeoxycytidineetheno-dC6-(2-deoxy-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one3,N4-Etheno-dC; 3,N4-Ethenodeoxycytidine; Ethenodeoxycytidine; 6-(2-Deoxy-ss-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one;3,N4 -ethenodeoxycytidineN4-Etheno2'-deoxycytidineSCHEMBL30492226DTXSID00988152
Database identifiers
- CAS
68498-26-0- PubChem CID
- 107769
- DTXSID
DTXSID00988152- Nikkaji
- J477.492B
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 135 · 135-136°C
- Boiling point
- 608.793 · 608.793±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.688 · 1.688±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 13.752 · 13.752±0.60(predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses3,N4-Etheno-2’-deoxycytidine is a biomarkers for assessing oxidative stress. Formed in human white blood cells.
Suppliers6 total
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
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]
BOC Sciences+1-631-485-4226 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
2 records
Compound notes
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