56-deacetyl-57-demethyl-45-O-de(2-methyl-1-oxopropyl)-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-α-L-arabino-hexopyranosyl)-flambamycin 56-(2,4-dihydroxy-6-methylbenzoate) | 109545-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 56-deacetyl-57-demethyl-45-O-de(2-methyl-1-oxopropyl)-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-α-L-arabino-hexopyranosyl)-flambamycin 56-(2,4-dihydroxy-6-methylbenzoate)
• 英文别名: SCH 27899；[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4S,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
• CAS: 109545-84-8
• 化学式: C₇₀H₉₇Cl₂NO₃₈
• 分子量: 1631.43
• InChiKey: UPADRKHAIMTUCC-VJOYMERUSA-N

物化性质

• 密度：
  1.55

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  111
• 可旋转键数：
  22
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  482
• 氢给体数：
  8
• 氢受体数：
  38

反应信息

• 作为反应物：
  描述：

  56-deacetyl-57-demethyl-45-O-de(2-methyl-1-oxopropyl)-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-α-L-arabino-hexopyranosyl)-flambamycin 56-(2,4-dihydroxy-6-methylbenzoate) 在 氢气 作用下， 生成 [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4S,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-4-amino-5-methoxy-4,6-dimethyloxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
  参考文献：
  名称：

  Ganguly; Pramanik; Chan, Heterocycles, 1989, vol. 28, # 1, p. 83 - 88

  摘要：

  DOI：

文献信息

• Ganguly; Pramanik; Chan, Heterocycles, 1989, vol. 28, # 1, p. 83 - 88
  作者：Ganguly、Pramanik、Chan、Sarre、Liu、Morton、Girijavallabhan

  DOI：——

  日期：——