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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 190895Generated: November 3, 2026

N-[1-[(2S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-(methylamino)benzamide

cytosaminomycin B · Benzamide, N-[1-[2,6-dideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]-β-D-arabino-hexopyranosyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-4-(methylamino)-

https://huagongshe.com/en/chemical/190895

N-[1-[(2S,4S,5R,6S)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-(methylamino)benzamide molecular structure

Identifiers & Physical Properties

CAS No.157878-03-0
Molecular formulaC26H37N5O8
Average molar mass547.6 g/mol
Monoisotopic mass547.26421316 g/mol
SMILESCNc1ccc(C(=O)Nc2ccn([C@@H]3C[C@H](O)[C@@H](O[C@H]4O[C@H](C)[C@@H](N(C)C)[C@H](O)[C@H]4O)[C@H](C)O3)c(=O)n2)cc1
InChIKeyUFIWZSNSJFCLAC-KYFRGEGWSA-N
PubChem CID190895

Chemical & Physical Properties

XLogP0.2
Topological polar surface area165
Hydrogen bond donors5
Hydrogen bond acceptors10
Rotatable bonds7
Heavy atoms39
Formal charge0
Complexity939
Density1.46±0.1 g/cm3(Predicted)
pKa (acidity coefficient)9+-.0.20(Predicted)