alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Glc (HCID 11249135)

기본 정보

표준 SMILES: OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIKey: ODDPRQJTYDIWJU-HLICEBNFSA-N
분자식: C18H32O16
평균 분자량: 504.4 g/mol
단동위원소 질량: 504.16903493

이름 및 식별자

우선 이름: alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Glc
IUPAC: (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

이름 및 동의어

alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcCHEBI:60946alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranoseRefChem:617137GlyTouCan:G48740SLG48740SLalphaGal1-3betaGal1-4GlcGal-alpha1,3Gal-beta1,4GlcGal-alpha(1,3)Gal-beta(1,4)Glcalpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucosealpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-D-GlcpEpitope ID:141495

이름 더 보기

Gal(a1-3)Gal(b1-4)GlcalphaGal(1-3)betaGal(1-4)GlcODDPRQJTYDIWJU-HLICEBNFSA-NQ27104879F_FULL_30000000000000_GS_4119_c2(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

데이터베이스 식별자

PubChem CID: 11249135
ChEBI: CHEBI:60946
Nikkaji: J939.131B

물성

구조 계산 물성

XLogP: -6.3
극성 표면적: 269 Å²
수소 결합 공여자 수: 11
수소 결합 수용자 수: 16
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 641

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