기본 정보
- CAS
120362-25-6- 표준 SMILES
COC(=N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1- InChIKey
NQLCRNIYNCQQET-MWKIOEHESA-N- 분자식
- C9H14N4O5
- 평균 분자량
- 258.23 g/mol
- 단동위원소 질량
- 258.09641955
개요
RN & structure given in first source
이름 및 식별자
- 우선 이름
- Methyl 1-ribofuranosyl-1,2,4-triazole-3-carboxamidate
- IUPAC
- methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidate
- 현지명
- 메틸1-리보푸라노실-1,2,4-트리아졸-3-카르복스아미데이트
- 영어명
- methyl 1-ribofuranosyl-1,2,4-triazole-3-carboxamidate
- 분자식
- C9H14N4O5
- 분자량
- 258.23
이름 및 동의어
MRTC120362-25-6Methyl 1-ribofuranosyl-1,2,4-triazole-3-carboxamidateRefChem:157156methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidateNQLCRNIYNCQQET-MWKIOEHESA-NCHEMBL400748SCHEMBL1200223DTXSID10923357Methyl 1-pentofuranosyl-1H-1,2,4-triazole-3-carboximidateMethyl 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidateMethyl-1-(beta-D-ribofuranosyl)[1,2,4]triazole-3-carboximidate
이름 더 보기
메틸1-리보푸라노실-1,2,4-트리아졸-3-카르복스아미데이트1H-1,2,4-Triazole-3-carboximidic acid, 1-β-D-ribofuranosyl-, methyl ester
1H-1,2,4-Triazole-3-carboximidic acid, 1-beta-D-ribofuranosyl-, methyl ester1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,2,4]triazole-3-carboximidic acid methyl estermethyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboximidate
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 317
물리화학적 성질
- 녹는점
- 150 · 150-153 °C
- 끓는 점
- 526.7 · 526.7±60.0 °C(Predicted)
- 밀도
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.94 · 12.94±0.70(Predicted)
화학 및 산업
공급사2 곳
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
관련 반응
1건
화합물 노트
불러오는 중…