401-10-5 (反式-视黄酰-beta-葡糖苷酸,all-trans Retinoyl b-D-Glucuronide, (>80%))

CAS号:
401-10-5
中文名称:
反式-视黄酰-beta-葡糖苷酸
英文名称:
all-trans Retinoyl b-D-Glucuronide, (>80%)
分子式:
C26H36O8
分子量:
476.559248924255

反式-视黄酰-beta-葡糖苷酸(401-10-5)名称与标识符

名称

中文别名:
(E-视黄酰基)-Β-葡糖苷酸;反式-视黄酰-beta-葡糖苷酸;
英文别名:
b-D-Glucopyranuronic acid,1-retinoate;all-trans Retinoyl β;all-trans Retinoyl β-D-Glucuronide;ALL-TRANS-RETINOYL B-GLUCURONIDE;(2S,3S,4S,5R,6S)-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;1-O-all-trans-retinoyl-beta-glucuronic acid;Retinoyl-beta-glucuronide;W-203796;Retinoic acid beta-D-glucuronide;Retinoyl b-glucuronide;Q27103934;1004517-36-5;XB6RQ16Y55;.BETA.-D-GLUCOPYRANURONIC ACID, 1-RETINOATE;RETINOYL .BETA.-GLUCURONIDE;ALL-TRANS-RETINOYL .BETA.-D-GLUCURONIDE;W-201374;AKOS040754950;9-cis-Retinoyl-beta-delta-glucuronide;UNII-XB6RQ16Y55;E-Retinoyl b-glucuronide;RETINOIC ACID, .BETA.-D-GLUCURONOSYL ESTER;RETINOYL GLUCURONIDE, ALL-TRANS;Retinoyl glucuronide;Retinoic acid beta-delta-glucuronide;Retinoyl beta-glucuronide;O(15)-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]retinoic acid;13-cis-retinoyl-beta-D-glucuronide;all-trans-Retinoyl-beta-glucuronide;MTGFYEHKPMOVNE-NEFMKCFNSA-N;all-trans Retinoyl ??-D-Glucuronide;all-trans-Retinoyl-beta-D-glucuronide;13-cis-Retinoyl glucuronide;all-trans Retinoyl ;GLUCOPYRANOSIDURONIC ACID, 1-RETINOATE, .BETA.-D-;all-trans-retinoyl glucuronide;13-cis-retinoic acid acyl beta-D-glucuronide;Glucuronide;RETINOIC ACID, 1-ESTER WITH .BETA.-D-GLUCOPYRANOSIDURONIC ACID;401-10-5;W-202656;(2S,3S,4S,5R,6S)-6-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;1-O-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-D-glucopyranuronic acid;NS00116305;all-trans Retinoyl ?-D-Glucuronide, (>80%);RETINOIC ACID, 1-ESTER WITH GLUCOPYRANURONIC ACID;A-D-Glucuronide, >85% By HPLC;beta-D-Glucopyranuronic acid, 1-ester with retinoic acid;DTXSID40274187;CHEBI:28870;13-cis-retinoyl-beta-delta-glucuronide;all-trans Retinoyl beta-D-Glucuronide, >85per cent By HPLC;9-cis-Retinoyl-beta-D-glucuronide;Trans-retinoyl glucuronide;13-cis-retinoic acid acyl beta-delta-glucuronide;beta-D-Glucopyranuronic acid, 1-retinoate;all-trans-Retinoyl-beta-delta-glucuronide;E-RETINOYLB-GLUCURONIDE;all-trans Retinoyl ?-D-Glucuronide;

标识符

InChIKey:
MTGFYEHKPMOVNE-NEFMKCFNSA-N
Inchi:
1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O)O)O)OC(/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)=O

反式-视黄酰-beta-葡糖苷酸(401-10-5)物化性质

实验特性

  • LogP : 2.95340
  • PSA : 133.52000
  • 折射率 : 1.578
  • 沸点 : 670.4±55.0 °C at 760 mmHg
  • 熔点 : Not available
  • 蒸气压 : 0.0±4.6 mmHg at 25°C
  • 闪点 : 220.1±25.0 °C
  • 溶解度 : DMSO (Slightly), Water
  • 密度 : 1.2±0.1 g/cm3

计算特性

  • 精确分子量 : 476.24100
  • 氢键供体数量 : 4
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 8
  • 同位素质量 : 476.241018
  • 重原子数量 : 34
  • 复杂度 : 921
  • 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 : 0
  • 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) : 4.4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 134

反式-视黄酰-beta-葡糖苷酸(401-10-5)推荐厂家 更多厂家(5)

公司名称手机号/电话联系人QQ微信询单
上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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金锦乐(湖南)化学有限公司 金锦乐 1226360695
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上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
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上海赛可锐生物科技有限公司 13003271654
021-58000709
赛可锐生物 3004122151
询单

反式-视黄酰-beta-葡糖苷酸(401-10-5)参考资料

Reaxys RN:
PubChem CID: