beta-D-Galactopyranoside, (1R,2R)-2-((6-deoxy-alpha-L-galactopyranosyl)oxy)cyclohexyl 3-O-((1S)-1-carboxy-2-cyclohexylethyl)-, monosodium salt
기본 정보
- CAS
187402-86-4- 표준 SMILES
C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O.[Na+]- InChIKey
YPKTXZIPPCLPEY-CQHBHFLSSA-M- 분자식
- C27H45NaO13
- 평균 분자량
- 600.6 g/mol
- 단동위원소 질량
- 600.27578577
이름 및 식별자
- 우선 이름
- beta-D-Galactopyranoside, (1R,2R)-2-((6-deoxy-alpha-L-galactopyranosyl)oxy)cyclohexyl 3-O-((1S)-1-carboxy-2-cyclohexylethyl)-, monosodium salt
- IUPAC
- sodium (2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoate
이름 및 동의어
CGP-69669AUNII-WY4G7G43DLWY4G7G43DL187402-86-4beta-D-Galactopyranoside, (1R,2R)-2-((6-deoxy-alpha-L-galactopyranosyl)oxy)cyclohexyl 3-O-((1S)-1-carboxy-2-cyclohexylethyl)-, monosodium saltbeta-D-Galactopyranoside, (1R,2R)-2-((6-deoxy-alpha-L-galactopyranosyl)oxy)cyclohexyl 3-O-((1S)-1-carboxy-2-cyclohexylethyl)-, sodium salt (1:1)CHEMBL407747Q27293037.BETA.-D-GALACTOPYRANOSIDE, (1R,2R)-2-((6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL)OXY)CYCLOHEXYL 3-O-((1S)-1-CARBOXY-2-CYCLOHEXYLETHYL)-, MONOSODIUM SALT.BETA.-D-GALACTOPYRANOSIDE, (1R,2R)-2-((6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL)OXY)CYCLOHEXYL 3-O-((1S)-1-CARBOXY-2-CYCLOHEXYLETHYL)-, SODIUM SALT (1:1)
데이터베이스 식별자
- CAS
187402-86-4- PubChem CID
- 23692993
- ChEMBL
CHEMBL407747- UNII
- WY4G7G43DL
- Nikkaji
- J1.207.278C
물성
구조 계산 물성
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 801
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