115250-38-9 ((2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮,(2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexan-1-one)

CAS号:
115250-38-9
中文名称:
(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮
英文名称:
(2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexan-1-one
分子式:
C35H36O6
分子量:
552.656750679016

(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮(115250-38-9)名称与标识符

名称

中文别名:
(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮;2-氨基乙基氨基甲酸;一溴二氯乙酸甲酯;(1S)-(1(羟基),2,4;1,3)-2,3,4-三-O-苄基-1-C-[(苄氧基)-甲基]-5-氧-1,2,3,4-环己四醇;(1S)-(1(羟基),2,4,5;四苄基伏格列波糖;(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(;(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮 / 四苄基伏格列波糖;(1S)-(1(羟基),2,4,5/1,3)-2,3,4-三-O-苄基-5-氧-1-C-苄氧甲基-1,2,3,4-环己四醇;(1S)-(1(羟基),2,4/1,3)-2,3,4-三-O-苄基-1-C-[(苄氧基)-甲基]-5-氧-1,2,3,4-环己四醇;
英文别名:
(2R,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)methyl)-5-hydroxycyclohexanone;(2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone;(2R,​3S,​4S,​5S) -5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone;(2R,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)-methyl)-5-hydroxycyclohexanone;(2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-(benzyloxymethyl)-5-hydroxycyclohexanone;(2R,3S,4S,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexan-1-one;(1S)-(1(OH),2,4;(1S)-(1(OH),2,4,5;(3S,4S,5S,2R)-5-hydroxy-5-[(phenylmethoxy)methyl]-2,3,4-tris(phenyl methoxy)cyclohexan-1-one;1,3)-2,3,4-Tri-O-benzyl-1-C-<(benzyloxy)methyl>-5-oxo-1,2,3,4-cyclohexanetetrol;Cyclohexanone,5-hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-,(2R,3S,4S,5S);Cyclohexanone,5-hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-, [2R-(2a,3b,4a,5a)]-;Vogliboseketone;(2R,3S,4S,5S) -5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxy)methyl -cyclohex;(2R,’S,’S,’S) -5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone;1,3)-2,3,4-TRI-O-BENZYL-1-C-[(BENZYLOXY)METHYL]-5-OXO-1,2,3,4-CYCLOHEXANETETROL;(1S)-(1(OH),2,4/1,3)-2,3,4-TRI-O-BENZYL-1-C-[(BENZYLOXY)METHYL]-5-OXO-1,2,3,4-CYCLOHEXANETETROL;(2R,3S,4S,5S)-2,3,4-tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexan-1-one;115250-38-9;JWXHKWBUBUUEFP-SNSGHMKVSA-N;SCHEMBL49399;A893908;Cyclohexanone, 5-hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-, (2R,3S,4S,5S)-;DTXSID90452397;MFCD09838991;AKOS016011227;(2R,3S,4S,5S) -5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone;F15961;(2R,?3S,?4S,?5S) -5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone;DA-15230;[2R-(2alpha,3beta,4alpha,5alpha)]- 5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone;

标识符

MDL:
MFCD09838991
InChIKey:
JWXHKWBUBUUEFP-BBACVFHCSA-N
Inchi:
1S/C35H36O6/c36-31-21-35(37,26-38-22-27-13-5-1-6-14-27)34(41-25-30-19-11-4-12-20-30)33(40-24-29-17-9-3-10-18-29)32(31)39-23-28-15-7-2-8-16-28/h1-20,32-34,37H,21-26H2/t32-,33-,34-,35-/m0/s1
SMILES:
O(CC1C=CC=CC=1)[C@H]1[C@H]([C@H](C(C[C@@]1(COCC1C=CC=CC=1)O)=O)OCC1C=CC=CC=1)OCC1C=CC=CC=1

(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮(115250-38-9)物化性质

实验特性

  • LogP : 5.66330
  • PSA : 74.22000
  • 折射率 : 1.624
  • 沸点 : 681.917 °C at 760 mmHg
  • 熔点 : 84-85 ºC
  • 闪点 : 681.917 °C at 760 mmHg
  • 密度 : 1.23

计算特性

  • 精确分子量 : 552.25100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 13
  • 同位素质量 : 552.25118886g/mol
  • 重原子数量 : 41
  • 复杂度 : 750
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 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) : 4.5
  • 拓扑分子极性表面积 : 74.2Ų

(2R,3S,4S,5S)-5-羟基-2,3,4-三(苄氧基)-5-[(苄氧基)甲基]-环己酮(115250-38-9)推荐厂家 更多厂家(25)

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