기본 정보
- CAS
120634-85-7- 표준 SMILES
CCCCCCCc1cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2OC([C@H](O)CO)[C@H](O)[C@H]2O)cc(O)c1C(=O)O- InChIKey
DXFBFWMLNIWYDA-CEXITYCRSA-N- 분자식
- C34H48O12
- 평균 분자량
- 648.7 g/mol
- 단동위원소 질량
- 648.31457696
개요
KS-502 is a carbonyl compound.
이름 및 식별자
- 우선 이름
- KS 502
- IUPAC
- 4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
- 영어명
- KS 502
- 분자식
- C34H48O12
- 분자량
- 648.74
이름 및 동의어
KS-5024-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acidKS 502120634-85-74-(2-((2S,3R,4R)-5-((1R)-1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl)oxy-6-heptyl-4-hydroxybenzoyl)oxy-2-heptyl-6-hydroxybenzoic acidRefChem:151481SCHEMBL29897073DTXSID20923505CHEBI:2217884-[2-[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acidBenzoic acid, 2-(beta-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester2-Heptyl-4-{[2-heptyl-6-(hexofuranosyloxy)-4-hydroxybenzoyl]oxy}-6-hydroxybenzoic acid
이름 더 보기
2-(β-D-Galactofuranosyloxy)-6-heptyl-4-hydroxybenzoic acid 4-carboxy-3-heptyl-5-hydroxyphenyl esterBenzoic acid, 2-(β-D-galactofuranosyloxy)-6-heptyl-4-hydroxy-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester
2-Heptyl-4-[(2-heptyl-6-{[(4xi)-beta-D-xylo-hexofuranosyl]oxy}-4-hydroxybenzoyl)oxy]-6-hydroxybenzoic acid
데이터베이스 식별자
- CAS
120634-85-7- PubChem CID
- 129242
- DTXSID
DTXSID20923505- ChEBI
CHEBI:221788
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 203 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 903
물리화학적 성질
- 끓는 점
- 893.255 · 893.255±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.304 · 1.304±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.779 · 2.779±0.34(predicted)
화학 및 산업
공급사1 곳
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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