[4,5-Diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Basic information
- CAS
4752-87-8- Standard SMILES
COc1ccn(C2OC(COC(C)=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1- InChIKey
DPSGZQDMGQZXGN-UHFFFAOYSA-N- Molecular formula
- C31H40N2O19
- Average molar mass
- 744.6 g/mol
- Monoisotopic mass
- 744.22252705
Names & identifiers
- Preferred name
- [4,5-Diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
- IUPAC
- [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Names & synonyms
NSC4071334752-87-8[4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetateDTXSID10324587NSC-407133[4,5-diacetoxy-6-(4-methoxy-2-oxo-pyrimidin-1-yl)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate2-[(Acetyloxy)methyl]-6-{[4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-methoxy-2-oxopyrimidin-1(2H)-yl)oxan-3-yl]oxy}oxane-3,4,5-triyl triacetateAcetic acid 4-acetoxy-6-acetoxymethyl-2-(4-methoxy-2-oxo-2H-pyrimidin-1-yl)-5-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
Database identifiers
- CAS
4752-87-8- PubChem CID
- 348091
- DTXSID
DTXSID10324587
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 254 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 20
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…