Basic information
- CAS
87668-74-4- Standard SMILES
Nc1ccn([C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)(O)O)c(=O)n1- InChIKey
XKNZZWKZFGFISK-POYBYMJQSA-N- Molecular formula
- C9H13N3O11P2
- Average molar mass
- 401.16 g/mol
- Monoisotopic mass
- 401.00253223
Names & identifiers
- Preferred name
- Cytidine 5'-diphosphate 2',3'-dialdehyde
- IUPAC
- [(2R)-2-[(1R)-1-(4-amino-2-oxopyrimidin-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
- English name
- cytidine 5'-diphosphate 2',3'-dialdehyde
- Molecular formula
- C9H13N3O11P2
- Molecular weight
- 401.16
Names & synonyms
Dial-cdpCdp 2',3'-dialdehyde87668-74-4Cytidine 5'-diphosphate 2',3'-dialdehydeDTXSID30236552Diphosphoric acid, mono(2-(1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-oxoethoxy)-3-oxopropyl) ester, (R-(R*,R*))-RefChem:130304DTXCID60159043(R)-2-((R)-1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-2-oxoethoxy)-3-oxopropyl trihydrogen diphosphate(2R)-2-[(1R)-1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-2-oxoethoxy]-3-oxopropyl trihydrogen diphosphate(R)-2-((R)-1-(4-Amino-2-oxopyrimidin-1(2H)-yl)-2-oxoethoxy)-3-oxopropyltrihydrogendiphosphateCYTIDINE 5'-DIPHOSPHONATE 2',3'-DIALDEHYDE
Show more names
Cytidine 5′-diphosphate, periodate oxidized sodium saltDiphosphoric acid, mono[2-[1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl] ester, [R-(R*,R*)]- (9CI)
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- Boiling point
- 665 · 665.0±65.0 °C(Predicted)
- Density
- 2 · 2.00±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 0.98 · 0.98±0.50(Predicted)
Chemistry & industry
Suppliers1 total
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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