4-amino-1-(3,4-dihydroxy-5-methanidyloxolan-2-yl)pyrimidin-2-one;cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
기본 정보
- CAS
55399-40-1- 표준 SMILES
C/C1=C2N=C(/C=C3N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C\3(C)C)C(CCC(N)=O)C/2(C)CC(N)=O.[CH2-]C1OC(n2ccc(N)nc2=O)C(O)C1O.[Co+2]- InChIKey
BEXGQYZHSULPHE-UHFFFAOYSA-M- 분자식
- C71H101CoN16O18P
- 평균 분자량
- 1,556.6 g/mol
- 단동위원소 질량
- 1,555.654931
이름 및 식별자
- 우선 이름
- 4-amino-1-(3,4-dihydroxy-5-methanidyloxolan-2-yl)pyrimidin-2-one;cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
- IUPAC
- 4-amino-1-(3,4-dihydroxy-5-methanidyloxolan-2-yl)pyrimidin-2-one;cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
이름 및 동의어
55399-40-1NSC164643NSC-164643
데이터베이스 식별자
- CAS
55399-40-1- PubChem CID
- 54606804
- DTXSID
DTXSID30714360
물성
구조 계산 물성
- 극성 표면적
- 557 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 107
- 형식 전하
- 0
- 복잡도
- 3,810
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…