기본 정보
- CAS
165070-68-8- 표준 SMILES
O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
XLZUBCUKXQFBKB-JZWLZXDTSA-O- 분자식
- C24H23O13+
- 평균 분자량
- 519.4 g/mol
- 단동위원소 질량
- 519.11386578
개요
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) is an anthocyanin cation consisting of pelargonidin having a 6-O-malonyl-beta-D-glucosyl residue attached at the 3-hydroxy position. It is a beta-D-glucoside and an anthocyanin cation. It is functionally related to a pelargonidin.
이름 및 식별자
- 우선 이름
- pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
- IUPAC
- 3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
- 영어명
- pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)
- 분자식
- C24H23O13+
- 분자량
- 519.43
이름 및 동의어
165070-68-8Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acidCHEBI:31965DTXSID203321385,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside3-(((2R,3S,4S,5R,6S)-6-(5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-3-oxopropanoic acidRefChem:170699DTXCID20283232Pelargonidin 3-(6''-malonylglucoside)LMPK12010030pelargonidin-3-O-(6''-malonyl glucoside)
이름 더 보기
Pelargonidin 3-(6′′-malonylglucoside)Pelargonidin 3-O-[6-O-malonyl]-glucosidePelargonidin 3-O-6-O-malonyl]-glucoside chloride
Pelargonidin-3-O-(6-(malonyl)-glucoside)Q27114738Pelargonidin 3-(6 inverted exclamation marka inverted exclamation marka-malonylglucoside)1-Benzopyrylium, 3-[[6-O-(carboxyacetyl)-|A-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
물성
구조 계산 물성
- 극성 표면적
- 204 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 1
- 복잡도
- 787
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Anthocyanidins [PK1201]
화학 및 산업
공급사7 곳
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四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
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