7-O-베타-D-글루코피라노실-알파-호모노지리마이신
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
기본 정보
- CAS
104343-33-1- 표준 SMILES
OC[C@H]1N[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
VCIPQQCYKMORDY-KBYFLBCBSA-N- 분자식
- C13H25NO10
- 평균 분자량
- 355.34 g/mol
- 단동위원소 질량
- 355.147846
개요
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol has been reported in Suregada glomerulata, Commelina communis, and Lobelia sessilifolia with data available.
이름 및 식별자
- 우선 이름
- (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
- IUPAC
- (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
- 현지명
- 7-O-베타-D-글루코피라노실-알파-호모노지리마이신
- 영어명
- 7-O-beta-D-Glucopyranosyl-alpha-homonojirimycin
- 분자식
- C13H25NO10
- 분자량
- 355.34
이름 및 동의어
Mdl-25,637PUGMWU0AL6104343-33-1CHEMBL478209MDL-256372,6-Dideoxy-2,6-imino-7-O-(beta-D-glucopyranosyl)-D-glycero-L-gulo-heptitolNSC630254UNII-PUGMWU0AL6Mdl 25637.BETA.-D-GLUCOPYRANOSIDE, ((2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINYL)METHYL.beta.-D-glucopyranoside, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-piperidinyl]methyl(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol
이름 더 보기
7-O-베타-D-글루코피라노실-알파-호모노지리마이신7-O-Glucosyl-α-homonojirimycin7-O-β-D-Glucopyranosyl-α-homonojirimycin7-O-beta-D-Glucopyranosyl-alpha-homonojirimycin7-O-β-D-Glucopyranosyl-2,6-dideoxy-2,6-epimino-D-glycero-L-gulo-heptitol(2R)-2α-[(β-D-Glucopyranosyloxy)methyl]-6β-(hydroxymethyl)-3α,4β,5α-piperidinetriol
7-O-b-D-Glucopyranosyl-a-homonojirimycinSCHEMBL305712orb1737933BDBM50263042PD1831647-O-.BETA.-D-GLUCOPYRANOSYL-.ALPHA.-HOMONOJIRIMYCIN2,6-DIDEOXY-2,6-IMINO-7-O-.BETA.-D-GLUCOPYRANOSYL-D-GLYCERO-L-GULO-HEPTITOLD-glycero-L-gulo-Heptitol, 2,6-dideoxy-7-O-beta-D-glucopyranosyl-2,6-imino-
물성
구조 계산 물성
- XLogP
- -4.6
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 401
물리화학적 성질
- 끓는 점
- 662.579 · 662.579±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.682 · 1.682±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.939 · 12.939±0.70(predicted)
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