기본 정보
- CAS
1310381-38-4- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H](CO)CC[C@H]21- InChIKey
DDODHLUDMIVDHJ-GMTAPVOTSA-N- 분자식
- C13H23NO4
- 평균 분자량
- 257.33 g/mol
- 단동위원소 질량
- 257.16270821
이름 및 식별자
- 우선 이름
- 5-Hydroxymethyl-hexahydro-pyrano[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3aR,5R,7aR)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate
- 영어명
- Racemic-(3aR,5R,7aR)-tert-butyl 5-(hydroxymethyl)hexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate
- 분자식
- C13H23NO4
- 분자량
- 257.33
이름 및 동의어
1310381-38-45-Hydroxymethyl-hexahydro-pyrano[3,2-b]pyrrole-1-carboxylic acid tert-butyl esterRacemic-(3aR,5R,7aR)-tert-butyl 5-(hydroxymethyl)hexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylatetert-Butyl (3aR,5R,7aR)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate1932829-74-7Pyrano[3,2-b]pyrrole-1(2H)-carboxylic acid, hexahydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3aR,5R,7aR)-MFCD21362257TERT-BUTYL (3AR,5R,7AR)-5-(HYDROXYMETHYL)HEXAHYDROPYRANO[3,2-B]PYRROLE-1(2H)-CARBOXYLATEWS-01690CS-0038243W19387Pyrano[3,2-b]pyrrole-1(2H)-carboxylicacid,hexahydro-5-(hydroxymethyl)-,1,1-dimethylethylester,(3aR,5R,7aR)-
이름 더 보기
Racemic-(3aR,5R,7aR)-tert-butyl 5-(hydroxymethyl)hexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate(WX110516)Racemic-tert-butyl (3aR,5R,7aR)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylatePyrano[3,2-b]pyrrole-1(2H)-carboxylic acid, hexahydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3aR,5R,7aR)-rel-
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 59 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 313
물리화학적 성질
- 끓는 점
- 371.1 · 371.1±17.0 °C(Predicted)
- 밀도
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.4 · 14.40±0.10(Predicted)
화학 및 산업
공급사4 곳
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
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