기본 정보
- CAS
1427191-48-7- 표준 SMILES
CS/C=C/C(=O)NCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
MJLWMXMXXZEOJU-DLOZDWKDSA-N- 분자식
- C18H31NO12S
- 평균 분자량
- 485.5 g/mol
- 단동위원소 질량
- 485.1566966
이름 및 식별자
- 우선 이름
- EntadamideA2'-O-(6''-O-beta-D-glucopyranosyl)-beta-D-glucopyranoside
- IUPAC
- (E)-3-methylsulfanyl-N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]prop-2-enamide
- 영어명
- 2-Propenamide, N-[2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]ethyl]-3-(methylthio)-, (2E)-
- 분자식
- C18H31NO12S
- 분자량
- 485.5
이름 및 동의어
1427191-48-7Entadamide A 2'-O-(6''-O-|A-D-glucopyranosyl)-|A-D-glucopyranosideEntadamideA2'-O-(6''-O-beta-D-glucopyranosyl)-beta-D-glucopyranosideEntadamide A 2'-O-( 6''-O-beta-D-glucopyranosyl)-beta-D-glucopyranosideEntadamideA2'-O-(6''-O-|A-D-glucopyranosyl)-|A-D-glucopyranosideEntadamide A 2'-O-(6''-O-beta-D-glucopyranosyl)-beta-D-glucopyranosideorb1942303AKOS040735846FS-7331HY-W671745DA-63215CS-0755275
이름 더 보기
EntadamideA2'-O-(6''-O-β-D-glucopyranosyl)-β-D-glucopyranosideEntadamide A 2' -O- ( 6''-O-β-D-glucopyranosyl ) -β-D-glucopyranoside2-Propenamide, N-[2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]ethyl]-3-(methylthio)-, (2E)-
E88913T82463entadamide A-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosideEntadamide A 2'-O-(6''-O-|?-D-glucopyranosyl)-|?-D-glucopyranoside(2E)-N-[2-[(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)OXY]ETHYL]-3-(METHYLTHIO)-2-PROPENAMIDE(E)-3-methylsulfanyl-N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]prop-2-enamide
물성
구조 계산 물성
- XLogP
- -4.1
- 극성 표면적
- 233 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 613
물리화학적 성질
- 끓는 점
- 827.1 · 827.1±65.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.87 · 12.87±0.70(Predicted)
화학 및 산업
공급사9 곳
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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