Panose

HCID 94448CAS 33401-87-5

기본 정보

표준 SMILES: O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[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)[C@H](O)CO
InChIKey: ZCLAHGAZPPEVDX-MQHGYYCBSA-N
분자식: C18H32O16
평균 분자량: 504.4 g/mol
단동위원소 질량: 504.16903493

이름 및 식별자

우선 이름: Panose
IUPAC: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
영어명: PANOSE
분자식: C18H32O16
분자량: 504.44

이름 및 동의어

Panose33401-87-5DB2AF4EE2DCHEBI:7912O-alpha-D-Glucopyranosyl-(1.6)-O-alpha-D-glucopyranosyl-(1.4)-D-glucose(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanalalpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyhexanalRefChem:169889GlyTouCan:G96853FUG96853FUglucosyl-alpha-(1,6)-glucosyl-alpha-(1,4)-glucose

이름 더 보기

D-PANOSEPanorich4-IsomaltD-PannosePanose - 1g4)-D-glucoseMixedisomeresPanose - 250 mgPANOSE USP/EP/BP

251-500-2MFCD00151376(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hexanalEINECS 251-500-2AKOS040758054HY-111951CS-0094372E78090

데이터베이스 식별자

CAS: 33401-87-5
PubChem CID: 94448
ChEBI: CHEBI:7912
UNII: DB2AF4EE2D
EC Number: 251-500-2
Nikkaji: J208.896G

물성

구조 계산 물성

XLogP: -7.2
극성 표면적: 277 Å²
수소 결합 공여자 수: 11
수소 결합 수용자 수: 16
회전 가능 결합 수: 11
무거운 원자 수: 34
형식 전하: 0
복잡도: 625

물리화학적 성질

녹는점: 223 °C · 223 °C
끓는 점: 960 · 960.0±65.0 °C(Predicted)
밀도: 1.75 · 1.75±0.1 g/cm3(Predicted)
굴절률: 155 ° · 155 ° (C=2, H2O)
저장 조건: 4 °C, · 4°C, protect from light
용해도: Soluble (water)
물리적 상태: Solid
산도 계수 (pKa): 12.39 · 12.39±0.20(Predicted)
색상: White to off-white
수용성: 125 mg/mL · Water : 125 mg/mL (247.80 mM)
BRN: 100481 · 100481
InChIKey: ZCLAHGAZPPEVDX-MQHGYYCBSA-N
SMILES: O([C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O
LogP: -5.563 · -5.563 (est)