8-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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기본 정보
- 표준 SMILES
CCCn1c(=O)c2[nH]c(C34CCC(CO)(CC3)CC4)nc2n(CCC)c1=O- InChIKey
VXNGWYZIFXWTDN-UHFFFAOYSA-N- 분자식
- C20H30N4O3
- 평균 분자량
- 374.5 g/mol
- 단동위원소 질량
- 374.23179083
이름 및 식별자
- 우선 이름
- 8-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
- IUPAC
- 8-[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]-1,3-dipropyl-7H-purine-2,6-dione
이름 및 동의어
CHEMBL4388278-(4-hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dioneSCHEMBL1566038VXNGWYZIFXWTDN-UHFFFAOYSA-NBDBM501992818-(4-Hydroxymethyl-bicyclo [2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione8-(4-Hydroxymethyl-bicyclo[2.2.2] oct-1-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione8-(4-Hydroxymethyl-bicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione8-(4-Hydroxymethylbicyclo [2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione8-(4-Hydroxymethylbicyclo[2.2.2] oct-1-yl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione8-(4-Hydroxymethylbicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydropurine-2,6-dione8-(4-Hydroxymethylbicyclo[2.2.2]oct-1-yl)-1,3-dipropyl-3,7-dihydropurine-2,6dione
이름 더 보기
8-(4-hydroxymethylbicyclo[2.2.2]oct-1-yl)-I,3-dipropyl-3,7-dihydropurine-2,6-dione
데이터베이스 식별자
- PubChem CID
- 11995651
- ChEMBL
CHEMBL438827
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 89.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 586
관련 반응
16건
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