에틸3,4,6-트리-O-아세틸-2-데옥시-2-프탈이미도-bD-티오글루코피라노시드
Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-thioglucopyranoside
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기본 정보
- CAS
99409-32-2- 표준 SMILES
CCS[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N1C(=O)c2ccccc2C1=O- InChIKey
ZGCHNHSVSFNZPW-UGVAJALESA-N- 분자식
- C22H25NO9S
- 평균 분자량
- 479.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-thioglucopyranoside
- IUPAC
- [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-ethylsulfanyloxan-2-yl]methyl acetate
- 현지명
- 에틸3,4,6-트리-O-아세틸-2-데옥시-2-프탈이미도-bD-티오글루코피라노시드
- 영어명
- Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-thioglucopyranoside
- 분자식
- C22H25NO9S
- 분자량
- 479.5
이름 및 동의어
99409-32-2Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-thioglucopyranosideMFCD15144989[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-ethylsulfanyloxan-2-yl]methyl acetateb-D-Glucopyranoside, ethyl2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-thio-,3,4,6-triacetateC22H25NO9SEthyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-|A-D-thioglucopyranosideEthyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-thioglucopyranosideSCHEMBL2059223CHEMBL3895482AC7496AKOS030528191
이름 더 보기
에틸3,4,6-트리-O-아세틸-2-데옥시-2-프탈이미도-bD-티오글루코피라노시드ZGCHNHSVSFNZPW-UGVAJALESA-NEthyl 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-β-D-thioglucopyranosideethyl 2,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-DglucopyranosideEthyl 2,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranosideEthyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-glucopyranosideEthyl 3,4,6-tri-O-Acetyl-2-deoxy-2-phthalimido-β-D-thioglucopyranoside, 98%Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-beta-D-glucopyranosideEthyl3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-β-D-thioglucopyranoside
ME04297BS-18029SY249938F987891Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido--D-thioglucopyranosideEthyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-?-D-thioglucopyranosideEthyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-I(2)-D-thioglucopyranosideEthyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-ss-D-thioglucopyranoside
데이터베이스 식별자
- CAS
99409-32-2- ChEMBL
CHEMBL3895482- Nikkaji
- J1.113.480G
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 779
물리화학적 성질
- 녹는점
- 116 °C · 116 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- 끓는 점
- 593.6 · 593.6±50.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -2.52 · -2.52±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2938909090
화학 및 산업
응용 분야
용도Ethyl 3,4,6-tri-O-Acetyl-2-deoxy-2-phthalimido-β-D-thioglucopyranoside is a reactant in the synthesis of Me 2-amino-2-deoxy-α-D-glucopyranoside 6-phosphate, Me 2-amino-2-deoxy-β-D-glucopyranoside 6-phosphate as cell wall inhibitors of Mycobacterium tuberculosis GlmM and GlmU.
관련 반응
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