[3,4-Diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
Basic information
- CAS
7494-82-8- Standard SMILES
COC(=O)NC1C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC1n1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1=O- InChIKey
IVRRZBXGSIGQBU-UHFFFAOYSA-N- Molecular formula
- C25H27N5O13
- Average molar mass
- 605.5 g/mol
- Monoisotopic mass
- 605.16053593
Names & identifiers
- Preferred name
- [3,4-Diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
- IUPAC
- [3,4-diacetyloxy-5-(methoxycarbonylamino)-6-[4-[(4-nitrobenzoyl)amino]-2-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
7494-82-8NSC402017DTXSID60322775NSC-4020174-(4-Nitrobenzamido)-1-{3,4,6-tri-O-acetyl-2-deoxy-2-[(methoxycarbonyl)amino]hexopyranosyl}pyrimidin-2(1H)-one
Database identifiers
- CAS
7494-82-8- PubChem CID
- 344878
- DTXSID
DTXSID60322775
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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