GlyTouCan:G36918VO

HCID 439559CAS 1257873-20-3

기본 정보

표준 SMILES: OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey: PVXPPJIGRGXGCY-TZLCEDOOSA-N
분자식: C12H22O11
평균 분자량: 342.3 g/mol
단동위원소 질량: 342.11621151

이름 및 식별자

우선 이름: GlyTouCan:G36918VO
IUPAC: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol

이름 및 동의어

RefChem:978783GlyTouCan:G36918VOG36918VOSCHEMBL118910DTXSID801370731STL565150AKOS037623354OI04225PD124262C017426-O-(a-D-Glucopyranosyl)-D-fructose (monohydrate)Q27103048

이름 더 보기

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triol(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy]tetrahydropyran-3,4,5-triol(2R,3S,4S,5R,6S)-2-methylol-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methoxy]tetrahydropyran-3,4,5-triol

데이터베이스 식별자

CAS: 1257873-20-3
PubChem CID: 439559
DTXSID: DTXSID801370731
ChEBI: CHEBI:18394
Nikkaji: J3.082.223D

물성

구조 계산 물성

XLogP: -4.3
극성 표면적: 190 Å²
수소 결합 공여자 수: 8
수소 결합 수용자 수: 11
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 395

실험 및 물리화학적 성질

Collision Cross Section · 3건

177.9 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；177.6 Å² [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；176 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

177.31 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]；172.6 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

176.2 Å² [M+Na]+；177.7 Å² [M+K]+；175.4 Å² [M-H]-