아카보스D-과당불순물
3NR79GK5MO
기본 정보
- CAS
1013621-79-8- 표준 SMILES
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]([C@H](O)CO)[C@H](O)C(=O)CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
ZVJBFRYRQDZSJV-WBFLKCIMSA-N- 분자식
- C25H43NO18
- 평균 분자량
- 645.6 g/mol
- 단동위원소 질량
- 645.24801352
이름 및 식별자
- 우선 이름
- 3NR79GK5MO
- IUPAC
- (3S,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-one
- 현지명
- 아카보스D-과당불순물
- 영어명
- Acarbose D-Fructose IMpurity
- 분자식
- C25H43NO18
- 분자량
- 645.61
이름 및 동의어
3NR79GK5MOAcarbose impurity A [EP]UNII-3NR79GK5MOAcarbose impurity A [USP]SCHEMBL31288862ACARBOSE IMPURITY A [EP IMPURITY]ACARBOSE IMPURITY A [USP IMPURITY]D-FRUCTOSE, O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-Fructose, O-4,6-dideoxy-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-O-4,6-DIDEOXY-4-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-ENYL)AMINO)-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-D-ARABINO-HEX-2-ULOPYRANOSEO-4,6-dideoxy-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-enyl)amino)-alpha-D-glucopyranosyl-(1->4)-o-alpha-D-glucopyranosyl-(1->4)-D-arabino-hex-2-ulopyranose아카보스D-과당불순물
이름 더 보기
Acarbose Impurity 1Acarbose D-Fructose IMpurityAcarbose D-Fructose IMpurityAD-Fructose, O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-4,6-Dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-D-fructoseO-4,6-Dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl) cyclohex-2-enyl]amino]-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-arabino-hex-2-ulopyranoseO-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy- 3-(hydroxymethyl)cyclohex-2-enyl]amino]-α-Dglucopyranosyl-( 1→4)-O-α-D-glucopyranosyl-(1→4)-Darabino- hex-2-ulopyranoseAcarbose EP imp.A: O-4,6-dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-enyl]amino]-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-arabino-hex-2-ulopyranoseAcarbose EP Impurity A/O-4,6-Dideoxy-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl) cyclohex-2-enyl]amino]-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-arabino-hex-2-ulopyranose4-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymeth
데이터베이스 식별자
- CAS
1013621-79-8- PubChem CID
- 131864693
- UNII
- 3NR79GK5MO
물성
구조 계산 물성
- XLogP
- -8.6
- 극성 표면적
- 329 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 958
물리화학적 성질
- 녹는점
- 150 °C · >150°C (dec.)
- 끓는 점
- 1069.5 · 1069.5±65.0 °C(Predicted)
- 밀도
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 산도 계수 (pKa)
- 11.67 · 11.67±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 베이지까지
- 안정성
- 흡습성
- InChIKey
- ZVJBFRYRQDZSJV-WBFLKCIMSA-N
- SMILES
- O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)N[C@@H]1[C@@H]([C@H]([C@@H](C(=C1)CO)O)O)O)C)[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]([C@H](O)CO)[C@H](O)C(=O)CO)O)O
화학 및 산업
응용 분야
용도Acarbose D-Fructose is an impurity of Acarbose (A123500). Acarbose impurity A.
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