Basic information
- CAS
141043-80-3- Standard SMILES
CC(C)N(C=Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1)C(C)C- InChIKey
VILGAGMUNYUTFS-DZGCQCFKSA-N- Molecular formula
- C16H26N4O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.2004907
Names & identifiers
- Preferred name
- N4-((Diisopropylamino)methylene)-2',3'-dideoxycytidine
- IUPAC
- N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide
- English name
- N4-((diisopropylamino)methylene)-2',3'-dideoxycytidine
- Molecular formula
- C16H26N4O3
- Molecular weight
- 322.4
Names & synonyms
141043-80-3IpmddcN4-((Diisopropylamino)methylene)-2',3'-dideoxycytidineCytidine, N-((bis(1-methylethyl)amino)methylene)-2',3'-dideoxy-Cytidine, N-[[bis(1-methylethyl)amino]methylene]-2',3'-dideoxy-N4(diiPrN)CH ddCDTXSID70874876N4-[Diisopropylamino)methylene]-2',3'-dideoxycytidineCytidine, N-[[bis(1-methylethyl)amino]methylene]-2a(2),3a(2)-dideoxy-N'-[1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]-N,N-diisopropyl-formamidineN'-{1-[(2R,5S)-5-(Hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-N,N-di(propan-2-yl)methanimidamideAids000721
Show more names
Aids-0007212',3'-DIDEOXY-N-((DIISOPROPYLAMINO)METHYLENE)CYTI...
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
LogP0.72
Physicochemical properties
- Boiling point
- 460.176 · 460.176±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.232 · 1.232±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.438 · 14.438±0.10(predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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