1-(2'-데옥시-베타-트레오펜토푸라노실)티민

1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one

HCID 1134

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16053-52-4
표준 SMILES: Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O
InChIKey: IQFYYKKMVGJFEH-UHFFFAOYSA-N
분자식: C10H14N2O5
평균 분자량: 242.23 g/mol

개요

1-(2-Deoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione is a pyrimidine 2'-deoxyribonucleoside.

이름 및 식별자

우선 이름: 1-(2-Deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
IUPAC: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
현지명: 1-(2'-데옥시-베타-트레오펜토푸라노실)티민
영어명: 1-(2'-deoxy-beta-threopentofuranosyl)thymine
분자식: C10H14N2O5
분자량: 242.23

이름 및 동의어

DTXSID209363371-(2-deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-oneRefChem:1053963DTXCID902093431-(2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione[5'-13C]thymidineNSC21548.beta.-D-Ribofuranoside, thymine-1 2-deoxy-1-(2/'-deoxy-beta-threopentofuranosyl)thymine(1-[2-Deoxy-beta-D-ribofuranosyl]-5-methyluracil)SMR0002796191-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil

이름 더 보기

1-(2'-데옥시-베타-트레오펜토푸라노실)티민3’-β-Thymidine3'-β-ThymidineThymidine 3''-EpimerZidovudine impurity MStavudine EP Impurity BStavudine impurity 2(B)Zidovudine EP Impurity FZidovudine impurity F (M)Silodosin Impurity 18 Monomer1-(2'-DEOXY-SS-THREOPENTOFURANOSYL)THYMINE

Deoxythymidin2 -DeoxythymideThymidine (rac)|A-L-ThymidineThymidine;|A-ThymidineZidovudine Impurity 191-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dioneCHEMBL6497

데이터베이스 식별자

CAS: 16053-52-4、50-89-5
PubChem CID: 1134
ChEMBL: CHEMBL6497
ChEBI: CHEBI:188725
Nikkaji: J2.569.651D

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 99.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 381

실험 및 물리화학적 성질

DrugsPharmaceuticals

물리화학적 성질

녹는점: 172 · 172-173 °C
밀도: 1.452 · 1.452±0.06 g/cm3(Predicted)
용해도: soluble in Dimethylformamide, Methanol
물리적 상태: 고체
산도 계수 (pKa): 9.55 · 9.55±0.10(Predicted)
색상: 회백색

화학 및 산업

응용 분야

용도3’-β-Thymidine (Stavudine EP Impurity B) is an intermediate in the production of fluorothymidine and phosphorylase derivatives (1,2). Stavudine is used as an antiviral agent. Reverse transcriptase inhibitor (3).