기본 정보
- CAS
2520-21-0- 표준 SMILES
COC(C)C(NC(=O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2O)C(O)C(O)C1O- InChIKey
VMSQKUCYEMOKMM-UHFFFAOYSA-N- 분자식
- C24H36N2O9S
- 평균 분자량
- 528.6 g/mol
- 단동위원소 질량
- 528.2141519
이름 및 식별자
- 우선 이름
- Celesticetin
- IUPAC
- 2-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
- 현지명
- 셀레스티세틴
- 영어명
- celesticetin
- 분자식
- C24H36N2O9S
- 분자량
- 528.62
이름 및 동의어
Celesticetin2520-21-0NSC9147U-55242-[3,4,5-trihydroxy-6-[2-methoxy-1-[(1-methylpyrrolidine-2-carbonyl)amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoateNSC-9147orb3024364SCHEMBL3674069VMSQKUCYEMOKMM-UHFFFAOYSA-NTN10557D-erythro-.alpha.-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-D-erythro-D-galacto-Octopyranoside, 2-hydroxyethyl 6,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), .alpha.-
이름 더 보기
셀레스티세틴Celesticetin A2-[(2-Hydroxybenzoyl)oxy]ethyl 7-O-methyl-6-[[(2S)-1-methyl-2-pyrrolidinyl]carbonylamino]-6,8-dideoxy-1-thio-α-D-erythro-D-galacto-octopyranosideD-erythro-α-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
WLN: T6OTJ BS2OVR BQ& CQ DQ EQ FYY1&O1&MV- BT5NTJ A12-[(2-Hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-|A-D-galacto-octopyranoside2-[(6,8-Dideoxy-7-O-methyl-6-([(1-methyl-2-pyrrolidinyl)carbonyl]amino)octopyranosyl)thio]ethyl salicylate #D-erythro-.alpha.-D-galacto-Octopyranoside,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-D-erythro-D-galacto-Octopyranoside,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), .alpha.-
데이터베이스 식별자
- CAS
2520-21-0- PubChem CID
- 220087
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 732
물리화학적 성질
- 끓는 점
- 748.7 · 748.7±60.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.05 · 8.05±0.30(Predicted)
화학 및 산업
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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