Sodium;methyl [(2Z)-3-methyl-2-[(Z)-[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate
기본 정보
- CAS
87958-64-3- 표준 SMILES
C=C(C)CN1C(=O)C(C)S/C1=N\N=C1/SC(OP(=O)([O-])OC)C(=O)N1C.[Na+]- InChIKey
NBLRJJYBVOILET-NMMHYEMXSA-M- 분자식
- C13H18N4NaO6PS2
- 평균 분자량
- 444.4 g/mol
- 단동위원소 질량
- 444.03030793
이름 및 식별자
- 우선 이름
- Sodium;methyl [(2Z)-3-methyl-2-[(Z)-[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate
- IUPAC
- sodium methyl [(2Z)-3-methyl-2-[(Z)-[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate
- 영어명
- CGP 19984
- 분자식
- C13H18N4NaO6PS2
- 분자량
- 444.398751
이름 및 동의어
Sodium;methyl [(2Z)-3-methyl-2-[(Z)-[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphateSCHEMBL29375604Mono(3-methyl-2-((5-methyl-3-(2-methyl-2-allyl)-4-oxo-2-thiazolidinylidene)hydrazono)-4-oxo-5-thiazolidinyl) monomethyl phosphatePhosphoric acid, monomethyl mono(3-methyl-2((5-methyl-3-(2-methyl-2-propenyl)-4-oxo-2-thiazolidinylidene)hydrazono)-4-oxo-5-thiazolidinyl) ester, sodium saltCGP 19984
데이터베이스 식별자
- CAS
87958-64-3- PubChem CID
- 23715651
물성
구조 계산 물성
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 748
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