5-Acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-2-(octadeca-9,11,13,15-tetraenoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
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기본 정보
- 표준 SMILES
CCC=CC=CC=CC=CCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC- InChIKey
DQOZMNQCTJNGNS-UHFFFAOYSA-N- 분자식
- C73H123N3O31
- 평균 분자량
- 1,538.8 g/mol
- 단동위원소 질량
- 1,537.8140541
이름 및 식별자
- 우선 이름
- 5-Acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-2-(octadeca-9,11,13,15-tetraenoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
- IUPAC
- 5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-2-(octadeca-9,11,13,15-tetraenoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 148838
물성
구조 계산 물성보충 중
- XLogP
- 1.7
- 극성 표면적
- 541 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 48
- 무거운 원자 수
- 107
- 형식 전하
- 0
- 복잡도
- 2,700
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