Isophthalamic acid, 5,5'-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-

HCID 25230

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10397-76-9
표준 SMILES: CNC(=O)c1c(I)c(NC(=O)CCCCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I
InChIKey: YKUMCWOEENHSDD-UHFFFAOYSA-N
분자식: C26H24I6N4O8
평균 분자량: 1,281.9 g/mol
단동위원소 질량: 1,281.5862

이름 및 식별자

우선 이름: Isophthalamic acid, 5,5'-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
IUPAC: 3-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
영어명: 3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
분자식: C26H24I6N4O8
분자량: 1281.92

이름 및 동의어

10397-76-9BRN 2800485Isophthalamic acid, 5,5'-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-DTXSID801461725,5'-(Hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid)RefChem:349760DTXCID90686633-[[8-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid3-[7-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]heptanoylamino]-2,4,6-triiodo-5-(3,3'-[(1,8-Dioxooctane-1,8-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid]3-[7-[[3-CARBOXY-2,4,6-TRIIODO-5-(METHYLCARBAMOYL)PHENYL]CARBAMOYL]HEPTANOYLAMINO]-2,4,6-TRIIODO-5-(METHYLCARBAMOYL)BENZOIC ACID5,5'-(1,8-Dioxooctane-1,8-diyldiimino)bis[2,4,6-triiodo-3-(methylcarbamoyl)benzoic acid]

이름 더 보기

Benzoic acid, 3,3'-[(1,8-dioxo-1,8-octanediyl)diimino]bis[2,4,6-triiodo-5-[(methylamino)carbonyl]- (9CI)

데이터베이스 식별자

CAS: 10397-76-9
PubChem CID: 25230
DTXSID: DTXSID80146172
Nikkaji: J41.103E

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 191 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 8
회전 가능 결합 수: 13
무거운 원자 수: 44
형식 전하: 0
복잡도: 1,010

물리화학적 성질

녹는점: 278 · 278.0-280.5 °C
끓는 점: 879.7 · 879.7±65.0 °C(Predicted)
밀도: 2.461 · 2.461±0.06 g/cm3(Predicted)
산도 계수 (pKa): 0.56 · 0.56±0.10(Predicted)

화합물 노트

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