아스코르빈산2-글루코시드

2-o-beta-d-Glucopyranosyl-l-ascorbic acid

HCID 54706833

노트 반응

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기본 정보

CAS: 562043-82-7
표준 SMILES: O=C1O[C@H]([C@@H](O)CO)C(O)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: MLSJBGYKDYSOAE-DNYNHWTLSA-N
분자식: C12H18O11
평균 분자량: 338.26 g/mol
단동위원소 질량: 338.0849114

개요

2-o-beta-d-Glucopyranosyl-l-ascorbic acid has been reported in Lycium barbarum with data available.

이름 및 식별자

우선 이름: 2-o-beta-d-Glucopyranosyl-l-ascorbic acid
IUPAC: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one
현지명: 아스코르빈산2-글루코시드
영어명: Ascorbic acid 2-glucoside
분자식: C12H18O11
분자량: 338.27

이름 및 동의어

2-o-beta-d-glucopyranosyl-l-ascorbic acid(2R)-2-((1S)-1,2-dihydroxyethyl)-3-hydroxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2H-furan-5-one(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-oneRefChem:1063957562043-82-72-O-|A-D-Glucopyranosyl-L-ascorbic Acid2-o--d-glucopyranosyl-l-ascorbic acidSCHEMBL152620orb1710604AA-2|?GMLSJBGYKDYSOAE-DNYNHWTLSA-NDTXSID401365940

이름 더 보기

아스코르빈산2-글루코시드L-Ascorbic acid 2-glucoside2-O-β-D-Glucopyranosyl-L-ascorbic acidAA-2βGbarbary wolfberry acid2-O-β-D-Glucopyranosylascorbic acid2-O-(β-D-Glucopyranosyl)Ascorbic acid2-O-(β-D-Glucopyranosyl)-L-ascorbic acid2-Deoxy-L-ascorbic acid-2-yl β-D-glucopyranoside

HY-N6958AKOS032945219MG298532-O-b-D-Glucopyranosyl-L-ascorbic acid2-o-(beta-d-glucopyranosyl)ascorbic acidMS-251402-O-??-D-Glucopyranosyl-L-ascorbic acid2-O-|?-D-Glucopyranosyl-L-ascorbic acid

데이터베이스 식별자

CAS: 562043-82-7
PubChem CID: 54706833
DTXSID: DTXSID401365940
Nikkaji: J355.715D

물성

구조 계산 물성

XLogP: -3.1
극성 표면적: 186 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 11
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 478

물리화학적 성질

끓는 점: 785.6 · 785.600±60.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.835 · 1.835±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 3.38 · 3.380±0.10(predicted)
물리적 상태: Solid
색상: White to light yellow
InChI: InChI=1/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12/s3
InChIKey: MLSJBGYKDYSOAE-YRYTZYTINA-N
SMILES: OC1=C(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]1[C@H](CO)O |&1:6,9,11,13,18,19,r|