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Methyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((S,E)-1-((tert-butyldimethylsilyl)oxy)-3-(trimethylsilyl)allyl)octahydropyrano[3,2-b]pyran-2-yl)acetate

HCID 178636293
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기본 정보

CAS
185411-11-4
표준 SMILES
COC(=O)C[C@H]1CC[C@@H]2O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIKey
WXTMRGOLCJXVSO-VLZGORHUSA-N
분자식
C35H72O7Si4
평균 분자량
717.3 g/mol
단동위원소 질량
716.43551077

이름 및 식별자

우선 이름
Methyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((S,E)-1-((tert-butyldimethylsilyl)oxy)-3-(trimethylsilyl)allyl)octahydropyrano[3,2-b]pyran-2-yl)acetate
IUPAC
methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
영어명
methyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8- bis((tert-butyldimethylsilyl)oxy)-6-((S,E)-1- ((tert-butyldimethylsilyl)oxy)-3- (trimethylsilyl)allyl)octahydropyrano [3,2- b]pyran-2-yl)acetate
분자식
C35H72O7Si4
분자량
717.28

이름 및 동의어

185411-11-4Methyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((S,E)-1-((tert-butyldimethylsilyl)oxy)-3-(trimethylsilyl)allyl)octahydropyrano[3,2-b]pyran-2-yl)acetateEribulin Impurity 53SCHEMBL14403735AC-31769Methyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8-bis((tert-butyldimethyls...((2R,4aS,6S,7R,8S,8aS)-7,8-bis((tert-butyldimethylsilyl)oxy)-6-((S,E)-1-((tert-butyldimethylsilyl)oxy)-3-(trimethylsilyl)allyl)octahydropyrano[3,2-b]pyran-2-yl)acetateL-arabino-D-allo-Tridec-12-enonic acid, 3,7:6,10-dianhydro-2,4,5,12,13-pentadeoxy-8,9,11-tris-O-[(1,1-dimethylethyl)dimethylsilyl]-13-(trimethylsilyl)-, methyl ester, (12E)-methyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8-bisl(tert- butyldimethylsilyl)oxy)-6-((S,E)-1-((tert- tutyldimthylsilyl)jxy)-3-(trimethylsilylallyl)octahydropyrano[3,2-blpyran 2-yl)acetatemethyl 2-((2R,4aS,6S,7R,8S,8aS)-7,8- bis((tert-butyldimethylsilyl)oxy)-6-((S,E)-1- ((tert-butyldimethylsilyl)oxy)-3- (trimethylsilyl)allyl)octahydropyrano [3,2- b]pyran-2-yl)acetate

데이터베이스 식별자

CAS
185411-11-4
PubChem CID
11735212

물성

구조 계산 물성

극성 표면적
72.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
15
무거운 원자 수
46
형식 전하
0
복잡도
1,050

물리화학적 성질

끓는 점
611.6 · 611.6±55.0 °C(Predicted)
밀도
0.97 · 0.97±0.1 g/cm3(Predicted)

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