Basic information
- CAS
64649-87-2- Standard SMILES
CCCC(=O)Nc1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2OC(=O)CCC)c(=O)n1- InChIKey
IPICHPMWYGQEKH-HMTTWLPMSA-N- Molecular formula
- C17H24N3O9P
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 445.12501635
Names & identifiers
- Preferred name
- Dibutyryl cyclic 3',5'-cytidine monophosphate
- IUPAC
- [(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
- English name
- N4 2'-O-DIBUTYRYLCYTIDINE 3':5'-CYCLIC
- Molecular formula
- C17H24N3O9P
- Molecular weight
- 445.36
Names & synonyms
BRN 0731817Dibutyryl cyclic 3',5'-cytidine monophosphateDibutyryl cyclic-3',5'-cytidine monophosphateDibutyryl cyclic-CMPDTXSID40276287Cytidine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate(4aR,6R,7R,7aR)-6-(4-Butanamido-2-oxopyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoateDB-cCMPN4 2'-O-DIBUTYRYLCYTIDINE 3':5'-CYCLICdibutyrylcyclic3’,5’-cytidinemonophosphatedibutyrylcyclic-3’,5’-cytidinemonophosphate3,5-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
Show more names
N4,2'-O-dibutyrylcytidine 3':5'-*cyclic monophospdibutyryl cyclic 3',5'-cytidine monophosphate, sodiumcytidine,n-(1-oxobutyl)-,cyclic3’,5’-(hydrogenphosphate)2’-butanoateN4,2μ-O-Dibutyrylcytidine 3μ:5μ-cyclic monophosphate sodium saltCytidine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate (9CI)
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 814
Physicochemical properties
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- lyophilized powder
- pka
- 0.8 · 0.80±0.60(Predicted)
- WGK Germany
- 3 · 3
- RTECS
- 3906000 · HA3906000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- HA3906000
Chemistry & industry
Suppliers2 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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