4,5-Diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid

HCID 80744CAS 17418-72-3

기본 정보

표준 SMILES: Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(N)cc(S(=O)(=O)O)c(O)c1C2=O
InChIKey: WKMGHKXPMKHFLG-UHFFFAOYSA-N
분자식: C14H10N2O10S2
평균 분자량: 430.4 g/mol
단동위원소 질량: 429.97768652

이름 및 식별자

우선 이름: 4,5-Diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid
IUPAC: 4,5-diamino-1,8-dihydroxy-9,10-dioxoanthracene-2,7-disulfonic acid
영어명: 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid
분자식: C14H10N2O10S2
분자량: 430.37

이름 및 동의어

17418-72-34,5-Diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid1,8-dihydroxy-4,5-diaminoanthraquinone-2,7-disulfonic acidWKMGHKXPMKHFLG-UHFFFAOYSA-N4,5-diamino-1,8-dihydroxy-9,10-dioxoanthracene-2,7-disulfonic acidEINECS 241-444-74,5-diamino-1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonic acid929E2NN6JZSCHEMBL11127906DTXSID701697792,7-Anthracenedisulfonic acid, 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxo-4,5-Diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxo-2,7-anthracenedisulfonic acid

이름 더 보기

4,5-DIAMINO-9,10-DIHYDRO-1,8-DIHYDROXY-9,10-DIOXOANTHRACENE-2,6-DISULFONIC ACIDNS000257244,5-diamino-1,8-dihydroxyanthraquinone-2,7-disulphonic acid

데이터베이스 식별자

CAS: 17418-72-3
PubChem CID: 80744
DTXSID: DTXSID70169779
UNII: 929E2NN6JZ
EC Number: 241-444-7
Nikkaji: J287.045B

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 252 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 12
회전 가능 결합 수: 2
무거운 원자 수: 28
형식 전하: 0
복잡도: 822

물리화학적 성질

밀도: 2.088 · 2.088±0.06 g/cm3(Predicted)
산도 계수 (pKa): -1.67 · -1.67±0.20(Predicted)

연결된 노트

불러오는 중…