4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone
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![4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ba617d527d824cf387cce927d6843126.png "4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone")
4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone
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CAS No:
31088-06-9
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Formula:
C25H43N3O6
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Chemical Name:
4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone
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Synonyms:
2(1H)-Pyrimidinone,4-amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-;Cytosine,1-β-D-arabinofuranosyl-,5′-palmitate;Palmitic acid,5′-ester with 1-β-D-arabinofuranosylcytosine;4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone;5′-O-Palmitoyl-1-β-D-arabinofuranosylcytosine;Palmitoyl cytarabine;1-β-D-Arabinofuranosylcytosine 5′-palmitoyl ester;1-β-D-Arabinofuranosylcytosine 5′-palmitate;Palm O-ara-C;Arabinosyl cytosine palmitate;Aracytidine 5′-palmitate;NSC 135,962;NSC 135962;5′-O-Palmitoyl-ara-C;CP 4093;50922-53-7
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CAS No:
4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone Basic Attributes
481.63
481.63
TFX122G3KD
Characteristics
135 Ų
1.1644
579.27°C (rough estimate)
1.7120 (estimate)
LD50 ipr-mus: 155 mg/kg NCISP* JAN1986
Computed Properties
Molecular Weight:481.6
XLogP3:5.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:481.31518610
Monoisotopic Mass:481.31518610
Topological Polar Surface Area:135
Heavy Atom Count:34
Complexity:684
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-Amino-1-[5-O-(1-oxohexadecyl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone
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