기본 정보
- CAS
40380-24-3- 표준 SMILES
CN1C(=O)C2(Cc3ccccc3)SSC1(CO)C(=O)N2C- InChIKey
SJRIMIDQFZMJPZ-UHFFFAOYSA-N- 분자식
- C14H16N2O3S2
- 평균 분자량
- 324.4 g/mol
- 단동위원소 질량
- 324.06023472
개요
Hyalodendrin has been reported in Hyalodendron with data available.
이름 및 식별자
- 우선 이름
- 1-Benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
- IUPAC
- 1-benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
- 영어명
- (-)-1-Hydroxymethyl-5,7-dimethyl-4-benzyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
- 분자식
- C14H16N2O3S2
- 분자량
- 324.42
이름 및 동의어
DTXSID409607901-Benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione1-Benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dioneRefChem:1054974DTXCID90138863440380-24-3Antibiotic A 26771AHyalodendrin I1-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-dithio-3,6-diketopiperazine(-)-isomer of hyalodendrin2,3-Dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione, 5,7-dimethyl-1-(hydroxymethyl)-4-(phenylmethyl)-, (-)-SCHEMBL11785933
이름 더 보기
(±)-HyalodendrinAntibiotic A-26771A2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione, 1-(hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-
BS-1313(-)-1-Hydroxymethyl-5,7-dimethyl-4-benzyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dioneHyalodendrin I; A 26771A; 3-Benzyl-6-hydroxymethyl-1,4-dimethyl- 3,6-epidithiopiperazin
데이터베이스 식별자
- CAS
40380-24-3- PubChem CID
- 38455
- DTXSID
DTXSID40960790- Nikkaji
- J19.323B、J87.564C
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 469
물리화학적 성질
- 녹는점
- 101 · 101-102 °C
- 끓는 점
- 580.5 · 580.5±50.0 °C(Predicted)
- 밀도
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.1 · 13.10±0.10(Predicted)
화학 및 산업
공급사1 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
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