5–Fluorouracil: Computational Studies of Tautomers and NMR Properties

Mahmoud MIRZAEI

Makale detayları

5–Fluorouracil: Computational Studies of Tautomers and NMR Properties

Yazarlar:

Mahmoud MIRZAEI

Yayıncı:

Koray SAYIN

Ana Başlıklar:

Kimya mühendisliği

Dergi:

Turkish Computational and Theoretical Chemistry 2017 Vol.1 Issue 1, pp.27-34

Belge Tipi:

Makale

Yayın Tarihi:

6/2017

Belge Dili:

Türkçe

Document ID (Org No.):

2000628536

Sıklık:

Üç Yıllık

eISSN:

2602-3237

pISSN:

2587-1722

Özet:

 


Chemical
computations were performed to investigate stabilities and properties for
tautomers of 5–fluorouracil (5FU). In addition to optimized properties, nuclear
magnetic resonance (NMR) parameters were calculated for all atoms of the stabilized
structures. Di–keto form of 5FU is the most stable structure and keto–enol and
di–enol structural forms are tautomeric structures. According to the results, the
polar and non-polar solvents media and tautomeric forms are both important in
characterizing 5FU structures. 




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Makale detayları

5–Fluorouracil: Computational Studies of Tautomers and NMR Properties

Yazarlar: Mahmoud MIRZAEI

Yayıncı: Koray SAYIN

Ana Başlıklar: Kimya mühendisliği

Dergi: Turkish Computational and Theoretical Chemistry 2017 Vol.1 Issue 1, pp.27-34

Belge Tipi: Makale

Yayın Tarihi: 6/2017

Belge Dili: Türkçe

Document ID (Org No.): 2000628536

Sıklık: Üç Yıllık

eISSN: 2602-3237

pISSN: 2587-1722

Sayı

Yazarlar:

Mahmoud MIRZAEI

Yayıncı:

Koray SAYIN

Ana Başlıklar:

Kimya mühendisliği

Dergi:

Turkish Computational and Theoretical Chemistry 2017 Vol.1 Issue 1, pp.27-34

Belge Tipi:

Makale

Yayın Tarihi:

6/2017

Belge Dili:

Türkçe

Document ID (Org No.):

2000628536

Sıklık:

Üç Yıllık

eISSN:

2602-3237

pISSN:

2587-1722