(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
기본 정보
- CAS
13096-62-3- 표준 SMILES
O=C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1- InChIKey
BUBVLQDEIIUIQG-NXVJRICRSA-N- 분자식
- C34H34O6
- 평균 분자량
- 538.6 g/mol
- 단동위원소 질량
- 538.23553881
이름 및 식별자
- 우선 이름
- (3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-one
- IUPAC
- (3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
- 영어명
- 2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone
- 분자식
- C34H34O6
- 분자량
- 538.63
이름 및 동의어
13096-62-3(3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-oneDTXSID20447897(3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)oxan-2-oneRefChem:1050276DTXCID603987182,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone(3R,4S,5R,6R)-3,4,5-TRIS(BENZYLOXY)-6-((BENZYLOXY)METHYL)TETRAHYDRO-2H-PYRAN-2-ONEMFCD08703228C34H34O62,3,4,6-Tetra-O-benzyl-D-gluconic acid-delta-lactoneD-Gluconic acid, 2,3,4,6-tetrakis-O-(phenylmethyl)-, delta-lactone
이름 더 보기
2,3,4,6-tetra-O-benzyl-D-glucopyranolactone5-lactoneTetra-O-benzyl-δ-D-Gluconolactone2,3,4,6-Tetra-O-benzyl-D-glucono-1Tetra-O -benzyl-delta-D-Gluconolactone2,3,4,6-Tetra-O-benzyl-D-glucono-delta-lacton2,3,4,6-Tetrakis-O-benzyl-D-glucono-1,5-lactone2,3,4,6-Tetra-O-benzyl-D-gluconic acid-δ-lactone
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-oneTetra-O-benzyl-delta-D-GluconolactoneAC-14392346-Tetra-O-benzyl-D-glucono-15-lactoneT37932,3,4,6-tetra-o-benzyl-d-(+)-glucono-1,5-lactone2,3,4,6-Tetrakis-O-(phenylmethyl)-D-gluconic acid lactone2,3,4,6-Tetra-O-benzyl-D-glucono-delta-lactone
데이터베이스 식별자
- CAS
13096-62-3- PubChem CID
- 10907626
- DTXSID
DTXSID20447897- EC Number
- 687-263-0
- Nikkaji
- J370.583H
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 63.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 705
물리화학적 성질
- 끓는 점
- 677.7 · 677.7±55.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- InChIKey
- BUBVLQDEIIUIQG-ORMLBLSRNA-N
- SMILES
- [C@H]1(OCC2=CC=CC=C2)C(=O)O[C@H](COCC2C=CC=CC=2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1 |&1:0,12,22,31,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- risk_code
- 22
- hazard_code
- Xn
화학 및 산업
응용 분야
용도2,3,4,6-Tetra-O-benzyl-D-glucono-1,5-lactone is used as a reactant to synthesize various glucoside containing compounds as selective SGLT2 inhibitors for the treatment of type 2 diabetes mellitus.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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