기본 정보
- 표준 SMILES
CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]2OC(c3ccccc3)O[C@H]12- InChIKey
VGLOFWHLPMVSBF-GGUYPNGTSA-N- 분자식
- C21H22O6
- 평균 분자량
- 370.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2,3:4,6-Di-O-benzylidene-alpha-D-mannopryanoside
- IUPAC
- (1R,2S,6S,7S,9R)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
- 현지명
- 메틸-2,3:4,6-DI-O-벤질리딘-D-만노피라노사이드
- 영어명
- Methyl 2,3:4,6-Di-O-benzylidene-α-D-mannopryanoside
- 분자식
- C21H22O6
- 분자량
- 370.4
이름 및 동의어
4148-71-4Methyl 2,3:4,6-Di-O-benzylidene-alpha-D-mannopryanosideNSC266498Methyl 2,3:4,6-Di-O-benzylidene-|A-D-mannopryanosideMethyl 2,3:4,6-di-O-benzylidene-alpha-D-mannopyranosideMFCD00192286NSC 266498Mannopyranoside, methyl 2,3:4,6-di-O-benzylidene-orb2941858SCHEMBL11740002Mannopyranoside, methyl 2,3:4,6-di-o-benzylidine-, alpha-D-(3aS,4S,5aR,9aR,9bS)-4-methoxy-2,8-diphenylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxine (non-preferred name)
이름 더 보기
메틸-2,3:4,6-DI-O-벤질리딘-D-만노피라노사이드Methyl 2,3:4,6-Bis-O-(phenylMethylene)-METHYL-2,3:4,6-DI-O-BENZYLIDINE-D-MANNOPYRANOSIDEMethyl 2,3:4,6-Di-O-benzylidene-α-D-mannopryanosideMethyl 2,3:4,6-Di-O-benzylidene-α-D-mannopyranosideMethyl2,3:4,6-Di-O-benzylidene-α-D-mannopyranoside>Methyl 2,3:4,6-Di-O-benzylidene-alpha-D-mannopyranosidea-D-Mannopyranoside, methyl2,3:4,6-bis-O-(phenylmethylene)-α-D-Mannopyranoside, methyl 2,3:4,6-bis-O-(phenylmethylene)-Methyl 2,3:4,6-Di-O-benzylidene-α-D-mannopryanoside, CAS 4148-71-4(3aS,4S,5aR,9aR,9bS)-4-methoxy-2,8-diphenyl-3a,4,5a,6,9a,9b-hexahydro-[1,3]dioxolo[2,3]pyrano[2,4-d][1,3]dioxine
STK366749TSW-00173AKOS005443147HY-W011078NCGC00341929-01(1R,2S,6S,7S,9R)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.0(2),?]tridecane(1R,2S,6S,7S,9R)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecaneAS-68767
데이터베이스 식별자
- CAS
4148-71-4- PubChem CID
- 73631
- Nikkaji
- J254.069J
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 489
물리화학적 성질
- 녹는점
- 182 · 182-184°C
- 끓는 점
- 514.7 · 514.7±50.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Crystalline Solid
안전 및 규제
안전 데이터
- HS 번호
- 2940.00.6000
화학 및 산업
응용 분야
용도Methyl 2,3:4,6-Di-O-benzylidene-α-D-mannopryanoside is used in the synthesis of a key intermediate of (+)-ajmalicine from carbohydrates and tryptamine.
공급사28 곳
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