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10,29-二氧杂双环[23.3.1]壬-15,17,19,21-四烯-26-羧酸,23-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-1,3,5,6,27-五羟基-11-(1-甲基乙基)-9-氧代-(9CI) | 130767-46-3

10,29-二氧杂双环[23.3.1]壬-15,17,19,21-四烯-26-羧酸,23-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-1,3,5,6,27-五羟基-11-(1-甲基乙基)-9-氧代-(9CI)结构式图片|130767-46-3结构式图片
10,29-二氧杂双环[23.3.1]壬-15,17,19,21-四烯-26-羧酸,23-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-1,3,5,6,27-五羟基-11-(1-甲基乙基)-9-氧代-(9CI)
10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI)
130767-46-3
C37H59NO14
741.86266
6440840
名称和标识符
InChIKey HCAJMOSNTHQEGE-LMNRCKTISA-N
Inchi InChI=1S/C37H59NO14/c1-21(2)28-14-12-10-8-6-4-5-7-9-11-13-24(50-36-34(45)32(38)33(44)22(3)49-36)18-29-31(35(46)47)27(42)20-37(48,52-29)19-23(39)17-26(41)25(40)15-16-30(43)51-28/h4-9,11,13,21-29,31-34,36,39-42,44-45,48H,10,12,14-20,38H2,1-3H3,(H,46,47)/b5-4-,8-6+,9-7+,13-11+/t22-,23?,24?,25?,26?,27?,28?,29?,31?,32+,33-,34+,36+,37?/m1/s1
SMILES C1C=CC=CC=CC(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2C(C(CC(O2)(O)CC(O)CC(O)C(O)CCC(=O)OC(C(C)C)CCCC=1)O)C(=O)O |c:1,t:3,5,49,&1:9,11,13,15,17|
别名信息
- 中文别名 -
- 英文别名 -
  • 10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI)
  • (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-20,21,23,25,27-pentahydroxy-17-oxo-15-propan-2-yl-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
  • 10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1
  • YS 822A
  • 10,29-Dioxabicyclo(23.3.1)nonacasa-15,17,19,21-tetraene-26-carboxylic acid, 23-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo-
  • 10,29-Dioxabicyclo(23.3.1)nonacosa-15,17,19,21-tetraene-26-carboxylic acid, 23-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo-
  • 23-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1
  • Antibiotic YS 822A
  • YS-822A
  • 15-Isopropyl-20,21,23,25,27-pentahydroxy-3-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetrene-28-carboxylic acid
  • (15Z,17E,19E,21E)-23-[(2R,3S,4S,5S,6R)-4-Amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,27-pentahydroxy-9-oxo-11-propan-2-yl-10,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
  • 130767-46-3
物化性质
实验特性
折射率 1.598
沸点 991°Cat760mmHg
闪点 553.2°C
密度 1.33
计算特性
精确分子量 741.393556
氢键供体数量 9
氢键受体数量 15
可旋转化学键数量 4
同位素质量 741.393556
重原子数量 52
复杂度 1240
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 9
确定化学键立构中心数量 4
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -0.7
拓扑分子极性表面积 259
专业数据库参考
PubChemId 6440840
960化工网为您提供10,29-二氧杂双环[23.3.1]壬-15,17,19,21-四烯-26-羧酸,23-[(3-氨基-3,6-二脱氧-b-D-吡喃甘露糖基)氧基]-1,3,5,6,27-五羟基-11-(1-甲基乙基)-9-氧代-(9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:130767-46-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:130767-46-3
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