Chemical Name: 9-[(2R,3R,4S)-3,4-bis(Hydroxymethyl)-2-oxetanyl]adenine |
Synonyms
- Oxetanocin A
- (-)-Oxetanocin
- NK 84-0218
- 2, 3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, [2S-(2.alpha., 3.beta., 4.alpha.)]-
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AIDS# 000392 |
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Links to ChemID Plus by CAS#
103913-16-2
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Links to PubChem by AIDS#
000392
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ISOLATED FROM BACILLUS MEGATERIUM NK84-0218; .BETA.-D-LIKE; (-); (2R,3R,4S); ENANTIOMERICALLY PURE
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C10 H13 N5 O3
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MW: 251.25
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Links to PubMed by CAS#
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H-bond donors:
3 |
H-bond acceptors:
7
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PHIA (Flexible Bonds):
2.8 |
Calc. LogP (MDL QSAR):
-1.4
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Company:
NIPPON KAYAKU |
Calc. LogP (KowWin): -1.78 |
Lines of Data: 11
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Anti-HIV Enzyme data: 0
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Lines of Data: 11
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TB Min MIC
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TB Min IC50
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Links to NIST by AIDS#
000392 |
Number of References: 11
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Number of References: 0
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Number of References: 2
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Lipinski: 4
(Score, out of 4)
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Classes: PURINE OXETANE NUCLEOSIDES; NATURAL PRODUCTS; NUCLEOSIDE RT INHIBITORS |