기본 정보
- CAS
64003-52-7- 표준 SMILES
CN[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
NUWXPVRSEMKSHK-FNMUCCOLSA-N- 분자식
- C39H68N2O30
- 평균 분자량
- 1,045 g/mol
- 단동위원소 질량
- 1,044.38568876
이름 및 식별자
- 우선 이름
- beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-deoxy-2-(methylamino)-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-[[(2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- 현지명
- 락토-N-네오헥사오스(LNnH)
- 영어명
- Lacto-N-neohexaose (LNnH)
- 분자식
- C40H68N2O31
- 분자량
- 1072.96
이름 및 동의어
SCHEMBL31694311DTXSID20849635beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-deoxy-2-(methylamino)-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-D-glucopyranose락토-N-네오헥사오스(LNnH)Lacto-N-neohexaose (LNnH)D-Glucose, O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-O-beta-D-Galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-O-[O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-6)]-O-beta-D-galactopyranosyl-(1-4)-D-glucose
데이터베이스 식별자
- CAS
64003-52-7- PubChem CID
- 71434236
- DTXSID
DTXSID20849635
물성
구조 계산 물성
- XLogP
- -12.5
- 극성 표면적
- 507 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 71
- 형식 전하
- 0
- 복잡도
- 1,650
물리화학적 성질
- 끓는 점
- 1480.426 · 1480.426±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.742 · 1.742±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.395 · 12.395±0.20(predicted)
화학 및 산업
공급사9 곳
上海凯森斯生物科技有限公司18616988519 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
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