4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol
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![4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/797a98edd01f4e7c8049da6ce4b7e3d7.png "4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol")
4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol
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CAS No:
74517-56-9
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Formula:
C30H40N3O12P
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Chemical Name:
4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol
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Synonyms:
cortisone-4-ara-C;cortisone-p-ara-C;Cortisone-p-ara-C;74517-56-9;Cortisone-4-ara-C;DTXSID50996040;[2-[(8S,9S,10R,13S,14S,17R)-17-[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate;4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol;Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, 5'-ester with 4-amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone
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CAS No:
4-Imino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]pentofuranosyl}-1,4-dihydropyrimidin-2-ol Basic Attributes
665.6 g/mol
665.23496072 g/mol
Computed Properties
Molecular Weight:665.6
XLogP3:-2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:665.23496072
Monoisotopic Mass:665.23496072
Topological Polar Surface Area:236
Heavy Atom Count:46
Complexity:1490
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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