Cytomycin
Basic information
- CAS
2005-98-3- Standard SMILES
CN1CCC(CC(=O)NC2C=CC(n3ccc(N)nc3=O)OC2C(=O)O)N=C1N- InChIKey
NXYZPLILSHUEBR-UHFFFAOYSA-N- Molecular formula
- C17H23N7O5
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.17606686
Names & identifiers
- Preferred name
- Cytomycin
- IUPAC
- 3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Names & synonyms
CYTOMYCINSaitomycin2005-98-33-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acidC015671-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-1,4,5,6-tetrahydro-2-amino-1-methylpyrimidin-4-yl]acetyl]amino]-1,2,3,4-tetradeoxy-beta-D-erythro-2-hexenopyranuronic acidAC1L27ENLS-59121orb1697609SCHEMBL29469380AKOS040751369T31164
Show more names
3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Database identifiers
- CAS
2005-98-3- PubChem CID
- 16174
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 821
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Compound notes
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