4'-Azido-2'-deoxy-2'-methyl-cytidine di-isobutyryl ester
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Identity
4'-Azido-2'-deoxy-2'-methyl-cytidine di-isobutyryl ester
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
PubChem CID: 24769037
2D Structure
Properties
C18H26N6O6
Molecular Formula
422.40
Molecular Weight
g/mol
422.1914
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
135
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(OC1N2C=CC(=NC2=O)N)(COC(=O)C(C)C)N=[N+]=[N-])OC(=O)C(C)CIsomeric SMILES
SMILES: C[C@H]1[C@@H]([C@](O[C@H]1N2C=CC(=NC2=O)N)(COC(=O)C(C)C)N=[N+]=[N-])OC(=O)C(C)CSynonyms(17)
TMC-6491281019639-33-89GE48QZN6XTMC649128UNII-9GE48QZN6X4'-Azido-2'-deoxy-2'-methyl-cytidine di-isobutyryl ester(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-azido-2-((isobutyryloxy)methyl)-4-methyltetrahydrofuran-3-yl isobutyrate[(2R,3S,4S,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-2-azido-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate2(1H)-Pyrimidinone, 4-amino-1-(4-c-azido-2-deoxy-2-methyl-3,5-bis-O-(2-methyl-1-oxopropyl)-beta-D-arabinofuranosyl)-orb1699121CHEMBL4297499SCHEMBL13483068AKOS040749658DB15152T28984
Data from PubChem (NCBI)
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Molecular Structure
4'-Azido-2'-deoxy-2'-methyl-cytidine di-isobutyryl ester
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Drug Network
Trials and conditions connected to 4'-Azido-2'-deoxy-2'-methyl-cytidine di-isobutyryl ester
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