32385-10-7 (5,12-萘二酮,8-乙酰基-10-[[3-(乙酰氨基)-2,3,6-三脱氧-a-L-lyxo-hexopyranosyl]氧基]-7,8,9,10-四氢-6,8,11-三羟基-1-甲氧基-(8S,10S)-(9CI),5,12-Naphthacenedione,8-acetyl-10-[[3-(acetylamino)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S,10S)- (9CI))

CAS号:
32385-10-7
中文名称:
5,12-萘二酮,8-乙酰基-10-[[3-(乙酰氨基)-2,3,6-三脱氧-a-L-lyxo-hexopyranosyl]氧基]-7,8,9,10-四氢-6,8,11-三羟基-1-甲氧基-(8S,10S)-(9CI)
英文名称:
5,12-Naphthacenedione,8-acetyl-10-[[3-(acetylamino)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S,10S)- (9CI)
分子式:
C29H31NO11
分子量:
569.556549310684

5,12-萘二酮,8-乙酰基-10-[[3-(乙酰氨基)-2,3,6-三脱氧-a-L-lyxo-hexopyranosyl]氧基]-7,8,9,10-四氢-6,8,11-三羟基-1-甲氧基-(8S,10S)-(9CI)(32385-10-7)名称与标识符

名称

英文别名:
5,12-Naphthacenedione,8-acetyl-10-[[3-(acetylamino)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S,10S)- (9CI);N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]acetamide;5,12-Naphthacenedione, 8-acetyl-10-((3-(acetylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-;N-Acetyldaunorubicin;32385-10-7;DTXSID40954159;3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside;

标识符

InChIKey:
UCEMIGLIQIYVAH-UHFFFAOYSA-N
Inchi:
1S/C29H31NO11/c1-11-24(33)16(30-13(3)32)8-19(40-11)41-18-10-29(38,12(2)31)9-15-21(18)28(37)23-22(26(15)35)25(34)14-6-5-7-17(39-4)20(14)27(23)36/h5-7,11,16,18-19,24,33,35,37-38H,8-10H2,1-4H3,(H,30,32)
SMILES:
O(C1CC(C(C(C)O1)O)NC(C)=O)C1C2C(=C3C(C4C(=CC=CC=4C(C3=C(C=2CC(C(C)=O)(C1)O)O)=O)OC)=O)O

5,12-萘二酮,8-乙酰基-10-[[3-(乙酰氨基)-2,3,6-三脱氧-a-L-lyxo-hexopyranosyl]氧基]-7,8,9,10-四氢-6,8,11-三羟基-1-甲氧基-(8S,10S)-(9CI)(32385-10-7)物化性质

实验特性

  • 折射率 : 1.672
  • 沸点 : 855.2°Cat760mmHg
  • 闪点 : 471°C
  • 密度 : 1.52

计算特性

  • 精确分子量 : 569.189711
  • 氢键供体数量 : 5
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 5
  • 同位素质量 : 569.189711
  • 重原子数量 : 41
  • 复杂度 : 1070
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 6
  • 确定化学键立构中心数量 : 0
  • 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) : 2.1
  • 拓扑分子极性表面积 : 189