기본 정보
- CAS
117639-50-6- 표준 SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)O[C@H](CO)[C@H]1OP(=O)(O)O- InChIKey
GSXWIWCWJJPWTG-NWHLJVKFSA-N- 분자식
- C50H96NO13P
- 평균 분자량
- 950.3 g/mol
- 단동위원소 질량
- 949.66192911
이름 및 식별자
- 우선 이름
- D-Glucose, 2-deoxy-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-((3R)-3-((1-oxohexadecyl)oxy)tetradecanoate)
- IUPAC
- [(3R)-1-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxyoxan-4-yl]oxy-1-oxotetradecan-3-yl] hexadecanoate
이름 및 동의어
GLA-64117639-50-6D-Glucose, 2-deoxy-2-(((3R)-3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-((3R)-3-((1-oxohexadecyl)oxy)tetradecanoate)D-Glucose, 2-deoxy-2-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate) 3-(3-((1-oxohexadecyl)oxy)tetradecanoate), (2(R),3(R))-D-Glucose, 2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-, 4-(dihydrogen phosphate) 3-[3-[(1-oxohexadecyl)oxy]tetradecanoate], [2(R),3(R)]-D-Glucose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 4-(dihydrogen phosphate) 3-[(3R)-3-[(1-oxohexadecyl)oxy]tetradecanoate]DTXSID90151853[(1R)-1-[2-[(2R,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-3-[[(3R)-3-hydroxytetradecanoyl]amino]-5-phosphonooxy-tetrahydropyran-4-yl]oxy-2-oxo-ethyl]dodecyl] hexadecanoate2-Deoxy-3-O-[(3R)-3-(hexadecanoyloxy)tetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranose
데이터베이스 식별자
- CAS
117639-50-6- PubChem CID
- 452302
- DTXSID
DTXSID90151853
물성
구조 계산 물성
- XLogP
- 14.6
- 극성 표면적
- 218 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 46
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,220
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…