(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on

HCID 10994280

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 32384-65-9
표준 SMILES: C[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIKey: VNGTZLYNGGLPIZ-WCXIOVBPSA-N
분자식: C18H42O6Si4
평균 분자량: 466.9 g/mol
단동위원소 질량: 466.20584518

이름 및 식별자

우선 이름: (3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
IUPAC: (3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
영어명: 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone
분자식: C18H42O6Si4
분자량: 466.87

이름 및 동의어

2,3,4,6-tetrakis-o-trimethylsilyl-d-gluconolactoneEC 608-732-8(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-ONRefChem:401087608-732-832384-65-9(3R,4S,5R,6R)-3,4,5-Tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)tetrahydro-2H-pyran-2-oneMFCD226659222,3,4,6-Tetra-O-(trimethylsilyl)-D-glucono-delta-lactone(3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-oneCanagliflozin Impurity 53

이름 더 보기

(3R,4S,5R,6R)-3,4,5-Tris[(trimethylsilyl)oxy]-6-[[(trimethylsilyl)oxy]methyl]tetrahydropyran-2-oneDagliptin Impurityoxy)-6-((triMethyLCagliflozin Impurity 9EnglitazinintermediateDapagliflozin Impurity 12Canagliflozin Related Impurity 9(3R,4S,5R,6R)-3,4,5-tris(triMethyLCanagliflozin Impurity 9(Dagelin impurity 11)

(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one2,3,4,6-tetra-o-(trimethylsilyl)-d-glucono-1,5-lactoneCS-M2269C18H42O6Si4DS-74872,3,4,6-tetrakis-o-(trimethylsilyl)-d-glucono-1,5-lactoned-Gluconic acid, 2,3,4,6-tetrakis-O-(trimethylsilyl)-, delta-lactone(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)-tetrahydropyran-2-one

데이터베이스 식별자

CAS: 32384-65-9
PubChem CID: 10994280
DTXSID: DTXSID30451107
UNII: B4FJ8CR2F5
EC Number: 608-732-8
Nikkaji: J521.645A

물성

구조 계산 물성

극성 표면적: 63.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 28
형식 전하: 0
복잡도: 530

물리화학적 성질

끓는 점: 417 ℃ · 417℃
밀도: 0.97 · 0.97
인화점: 171 ℃ · 171℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색~담황색
안정성: 수분에 민감한
InChI: InChI=1/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/s3
InChIKey: VNGTZLYNGGLPIZ-NELUYGJANA-N
SMILES: O([C@@H]1[C@H](C(=O)O[C@H](CO[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C |&1:1,2,6,13,r|

화학적 성질

Pale yellow oil

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H400 (77.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 19-01-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6124

Hazard Classes and CategoriesAquatic Acute 1 (77.8%)

안전 데이터

HS 번호: 2931900090

화학 및 산업

응용 분야 · 1건

용도2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone is an antidiabetic agent and an intermediate of Dapagliflozin (D185370). 2,3,4,6-Tetrakis-O-trimethylsilyl-D-gluconolactone acts as a reagent in the synthesis of trans-cyclohexane-bearing C-glucose as sodium glucose co-transporter 2 inhibitors.