기본 정보
- CAS
102409-60-9- 표준 SMILES
NC(=O)OCC1c2c(O)cc(CO)cc2N2CC3NC3C1(O)O2- InChIKey
WUQJQATXUALTBZ-UHFFFAOYSA-N- 분자식
- C14H17N3O6
- 평균 분자량
- 323.3 g/mol
이름 및 식별자
- 우선 이름
- (7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate
- IUPAC
- [6,9-dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate
이름 및 동의어
DTXSID40907483(7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate[7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidateRefChem:1050709DTXCID801336573102409-60-93,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5,8-dimethanol, 1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, alpha(8)-carbamateWUQJQATXUALTBZ-UHFFFAOYSA-N[6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate[7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazirino[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidate6,9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate6.9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate
데이터베이스 식별자
- CAS
102409-60-9- PubChem CID
- 124136
- DTXSID
DTXSID40907483
물성
구조 계산 물성
- XLogP
- -1.5
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 507
관련 반응
9건
화합물 노트
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