(S)-2-(((Z)-Hexadec-9-enoyl)oxy)-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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기본 정보
- CAS
1531639-03-8- 표준 SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCC- InChIKey
QUEWWTXBOAWDHE-VVLHYDSLSA-N- 분자식
- C51H84O15
- 평균 분자량
- 937.2 g/mol
- 단동위원소 질량
- 936.58102197
이름 및 식별자
- 우선 이름
- (S)-2-(((Z)-Hexadec-9-enoyl)oxy)-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
- IUPAC
- [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
- 영어명
- (2S)-3-[[(5Z,8Z,11Z,14Z,17Z)-1-Oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl 6-O-alpha-D-galactopyranosyl-beta-D-galactopyranoside
- 분자식
- C51H84O15
- 분자량
- 937.21
이름 및 동의어
(S)-2-(((Z)-Hexadec-9-enoyl)oxy)-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateDigalactosyldiacylglycerol - 10mg/ml in Chloroform-Methanolβ-D-Galactopyranoside, (2S)-3-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-(2S)-3-[[(5Z,8Z,11Z,14Z,17Z)-1-Oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl 6-O-alpha-D-galactopyranosyl-beta-D-galactopyranoside
데이터베이스 식별자
- CAS
1531639-03-8- PubChem CID
- 170899631
물성
구조 계산 물성보충 중
- XLogP
- 7.9
- 극성 표면적
- 231 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 38
- 무거운 원자 수
- 66
- 형식 전하
- 0
- 복잡도
- 1,430
물리화학적 성질
- 끓는 점
- 969.958 · 969.958±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.18 · 1.180±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.835 · 12.835±0.70(predicted)
관련 반응
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