Basic information
- CAS
7494-99-7- Standard SMILES
CC(=O)NC(=O)NC1C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC1n1ccc(NC(C)=O)nc1=O- InChIKey
XIHOWNJCYHLQLE-UHFFFAOYSA-N- Molecular formula
- C21H27N5O11
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 525.17070669
Names & identifiers
- Preferred name
- [6-(4-Acetamido-2-oxopyrimidin-1-yl)-5-(acetylcarbamoylamino)-3,4-diacetyloxyoxan-2-yl]methyl acetate
- IUPAC
- [6-(4-acetamido-2-oxopyrimidin-1-yl)-5-(acetylcarbamoylamino)-3,4-diacetyloxyoxan-2-yl]methyl acetate
Names & synonyms
NSC4018367494-99-7DTXSID40322692NSC-401836[6-(4-acetamido-2-oxo-pyrimidin-1-yl)-3,4-diacetoxy-5-(acetylcarbamoylamino)tetrahydropyran-2-yl]methyl acetate2(1H)-Pyrimidinone, 4-(acetylamino)-1-[3,4,6-tri-O-acetyl-2-[[(acetylamino)carbonyl]amino]-2-deoxyhexopyranosyl]-4-Acetamido-1-{3,4,6-tri-O-acetyl-2-[(acetylcarbamoyl)amino]-2-deoxyhexopyranosyl}pyrimidin-2(1H)-one
Database identifiers
- CAS
7494-99-7- PubChem CID
- 344751
- DTXSID
DTXSID40322692
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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