기본 정보
- CAS
76360-94-6- 표준 SMILES
C=CCn1c(=O)c(C(=O)OCC)c(O)c2cnc(SC)nc21- InChIKey
MUEXBLMEJCDDCM-UHFFFAOYSA-N- 분자식
- C14H15N3O4S
- 평균 분자량
- 321.35 g/mol
- 단동위원소 질량
- 321.07832696
이름 및 식별자
- 우선 이름
- Ethyl 8-allyl-5-hydroxy-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-hydroxy-2-methylsulfanyl-7-oxo-8-prop-2-enylpyrido[2,3-d]pyrimidine-6-carboxylate
- 영어명
- ethyl 8-allyl-5-hydroxy-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- 분자식
- C14H15N3O4S
- 분자량
- 321.35
이름 및 동의어
76360-94-6Ethyl 8-allyl-5-hydroxy-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylateethyl 5-hydroxy-2-methylsulfanyl-7-oxo-8-prop-2-enylpyrido[2,3-d]pyrimidine-6-carboxylateethyl8-allyl-5-hydroxy-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylateA9685SCHEMBL11156579DTXSID80716354MUEXBLMEJCDDCM-UHFFFAOYSA-NAKOS0158391257,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-(2-propenyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl esterDB-0751187,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-(2-propenyl)pyrido-[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
이름 더 보기
ethyl 8-allyl-5-hydroxy-2-(Methylthio)-7-oxo-7,8-dihydropyrido[2Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 7,8-dihydro-5-hydroxy-2-(methylthio)-7-oxo-8-(2-propen-1-yl)-, ethyl ester
Ethyl 5-hydroxy-2-(methylsulfanyl)-7-oxo-8-(prop-2-en-1-yl)-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
76360-94-6- PubChem CID
- 54729613
- DTXSID
DTXSID80716354
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 508
물리화학적 성질
- 끓는 점
- 487.3 · 487.3±45.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
안전 및 규제
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사2 곳
上海相辉医药科技有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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