Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,6-Diamino-3-((2,3-diamino-2,3-dideoxy-4-O-methylpentopyranosyl)oxy)-2-hydroxycyclohexyl 2,6-diamino-2,4,6-trideoxyhexopyranoside
Seldomycin-5 · Seldomycin factor-5 · Xk-88-5 trisulfate hexahydrate · Seldomycin factor 5 trisulfate hexahydrate · 6-O-(2,3-Diamino-4-O-methyl-2,3-dideoxy-α-D-xylopyranosyl)-4-O-(2,6-diamino-2,4,6-trideoxy-α-D-xylo-hexopyranosyl)-2-deoxy-D-streptamine · D-Streptamine, O-2,3-diamino-2,3-dideoxy-4-O-methyl-α-D-xylopyranosyl-(1→6)-O-[2,6-diamino-2,4,6-trideoxy-α-D-xylo-hexopyranosyl-(1→4)]-2-deoxy- (9CI) · D-Streptamine, o-2,3-diamino-2,3-dideoxy-4-o-methyl-alpha-D-xylopyranosyl-(1-6)-o-(2,6-diamino-2,4,6-trideoxy-alpha-D-xylo-hexopyranosyl-(1-4))-2-deoxy-, trisulfate, hexahydrate
식별자 및 물리적 특성
| CAS No. | 56276-26-7 |
|---|---|
| 분자식 | C18H38N6O7 |
| 평균 분자량 | 450.5 g/mol |
| 단동위원소 질량 | 450.28019757 g/mol |
| SMILES | COC1COC(OC2C(N)CC(N)C(OC3OC(CN)CC(O)C3N)C2O)C(N)C1N |
| InChIKey | HJKXMQLJTKUBMG-UHFFFAOYSA-N |
| PubChem CID | 3043877 |
| DTXSID | DTXSID90971710 |
화학 및 물리적 성질
| XLogP | -6.4 |
|---|---|
| 극성 표면적 | 243 |
| 수소 결합 공여자 수 | 8 |
| 수소 결합 수용자 수 | 13 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 31 |
| 형식 전하 | 0 |
| 복잡도 | 580 |
| 끓는 점 | 678.6±55.0 °C(Predicted) |
| 밀도 | 1.39±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 13.43±0.70(Predicted) |