3-[34-Benzyl-25,31-di(ethylidene)-9-hydroxy-22-(1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-10-(2,4,5-trihydroxy-7-methyloctyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide
기본 정보
- 표준 SMILES
CC=C1N=C(O)C(Cc2ccccc2)N=C(O)C2CCCN2C(=O)CN=C(O)C(CCC(=N)O)N=C(O)C(O)C(CC(O)CC(O)C(O)CC(C)C)N=C(O)C2CCCN2C(=O)C(CCc2ccccc2)N=C(O)C(C(C)O)N=C(O)C(=CC)N=C(O)C(CO)N=C1O- InChIKey
OIVBMJYHGKIQDX-UHFFFAOYSA-N- 분자식
- C63H90N12O18
- 평균 분자량
- 1,303.5 g/mol
- 단동위원소 질량
- 1,302.64960404
이름 및 식별자
- 우선 이름
- 3-[34-Benzyl-25,31-di(ethylidene)-9-hydroxy-22-(1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-10-(2,4,5-trihydroxy-7-methyloctyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide
- IUPAC
- 3-[34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-(1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-10-(2,4,5-trihydroxy-7-methyloctyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 467 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 93
- 형식 전하
- 0
- 복잡도
- 2,680
관련 반응
0건
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