t-Butyldimethylsilyl 6-O-{3-O-allyloxycarbonyl-6-O-benzyl-2-deoxy-4-O-(1,5-dihydro-3-oxo-3lambda5-3H-2,4,3-benzodioxaphosphepin-3yl)-2-[(R)-3-dodecanoyloxy-tetradecanoylamino]-beta-D-glucopyranosyl}-2-azido-4-O-benzyl-3-O-[(R)-3-benzyloxy-dodecanoyl]-2-deoxy-beta-D-glucopyranoside
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기본 정보
- 표준 SMILES
C=CCOC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OC(=O)C[C@@H](CCCCCCCCC)OCc3ccccc3)[C@@H]2OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OP1(=O)OCc2ccccc2CO1- InChIKey
DIYUQIIHVNQKKT-GXIHZUKNSA-N- 분자식
- C89H135N4O19PSi
- 평균 분자량
- 1,624.1 g/mol
이름 및 식별자
- 우선 이름
- t-Butyldimethylsilyl 6-O-{3-O-allyloxycarbonyl-6-O-benzyl-2-deoxy-4-O-(1,5-dihydro-3-oxo-3lambda5-3H-2,4,3-benzodioxaphosphepin-3yl)-2-[(R)-3-dodecanoyloxy-tetradecanoylamino]-beta-D-glucopyranosyl}-2-azido-4-O-benzyl-3-O-[(R)-3-benzyloxy-dodecanoyl]-2-deoxy-beta-D-glucopyranoside
- IUPAC
- [(2S,3R,4R,5S,6R)-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-5-[(3-oxo-1,5-dihydro-2,4,3λ5-benzodioxaphosphepin-3-yl)oxy]-6-(phenylmethoxymethyl)-4-prop-2-enoxycarbonyloxyoxan-2-yl]oxymethyl]-5-phenylmethoxyoxan-4-yl] (3R)-3-phenylmethoxydodecanoate
이름 및 동의어
SCHEMBL1358654DIYUQIIHVNQKKT-GXIHZUKNSA-Nt-Butyldimethylsilyl 6-O-{3-O-allyloxycarbonyl-6-O-benzyl-2-deoxy-4-O-(1,5-dihydro-3-oxo-3lambda5-3H-2,4,3-benzodioxaphosphepin-3yl)-2-[(R)-3-dodecanoyloxy-tetradecanoylamino]-beta-D-glucopyranosyl}-2-azido-4-O-benzyl-3-O-[(R)-3-benzyloxy-dodecanoyl]-2-deoxy-beta-D-glucopyranoside
데이터베이스 식별자
- PubChem CID
- 87233474
- Nikkaji
- J2.604.364F
물성
구조 계산 물성보충 중
- 극성 표면적
- 241 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 61
- 무거운 원자 수
- 114
- 형식 전하
- 0
- 복잡도
- 2,730
관련 반응
1건
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