기본 정보
- CAS
132302-25-1- 표준 SMILES
CC(=O)OCC1OC(OC2C(OC(=O)C=Cc3ccc(OC(C)=O)c(OC(C)=O)c3)C(COC(C)=O)OC(OCCc3ccc(OC(C)=O)c(OC(C)=O)c3)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O- InChIKey
LDRYJMGKCCNYBN-UHFFFAOYSA-N- 분자식
- C49H56O26
- 평균 분자량
- 1,061 g/mol
- 단동위원소 질량
- 1,060.30598189
이름 및 식별자
- 우선 이름
- [5-Acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-diacetyloxyphenyl)ethoxy]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] 3-(3,4-diacetyloxyphenyl)prop-2-enoate
- IUPAC
- [5-acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-diacetyloxyphenyl)ethoxy]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] 3-(3,4-diacetyloxyphenyl)prop-2-enoate
- 영어명
- β-D-Glucopyranoside, 2-[3,4-bis(acetyloxy)phenyl]ethyl 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,6-diacetate 4-[3-[3,4-bis(acetyloxy)phenyl]-2-propenoate], (E)-
- 분자식
- C49H56O26
- 분자량
- 1060.96
이름 및 동의어
132302-25-1Hemiphroside B Nonaacetate[5-acetyloxy-2-(acetyloxymethyl)-6-[2-(3,4-diacetyloxyphenyl)ethoxy]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-3-yl] 3-(3,4-diacetyloxyphenyl)prop-2-enoateorb1682436(2R,3R,4S,5R,6R)-5-(ACETYLOXY)-2-[(ACETYLOXY)METHYL]-6-{2-[3,4-BIS(ACETYLOXY)PHENYL]ETHOXY}-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIS(ACETYLOXY)-6-[(ACETYLOXY)METHYL]OXAN-2-YL]OXY}OXAN-3-YL (2E)-3-[3,4-BIS(ACETYLOXY)PHENYL]PROP-2-ENOATEbeta-D-Glucopyranoside, 2-[3,4-bis(acetyloxy)phenyl]ethyl 3-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, 2,6-diacetate 4-[3-[3,4-bis(acetyloxy)phenyl]-2-propenoate], (E)- (9CI)2-(3,4-Diacetoxyphenyl)ethyl 2,6-di-O-acetyl-4-O-[(2E)-3-(3,4-dia cetoxyphenyl)-2-propenoyl]-3-O-(2,3,4,6-tetra-O-acetyl-|A-D-glucop yranosyl)-|A-D-glucopyranoside2-(3,4-Diacetoxyphenyl)ethyl 2,6-di-O-acetyl-4-O-[(2E)-3-(3,4-dia cetoxyphenyl)-2-propenoyl]-3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucop yranosyl)-β-D-glucopyranosideβ-D-Glucopyranoside, 2-[3,4-bis(acetyloxy)phenyl]ethyl 3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 2,6-diacetate 4-[3-[3,4-bis(acetyloxy)phenyl]-2-propenoate], (E)-
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 326 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 2,090
물리화학적 성질
- 끓는 점
- 956.118 · 956.118±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.398 · 1.398±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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