色氨酸代谢物(吲哚乙酸) | 54-16-0
中文名称:
色氨酸代谢物(吲哚乙酸)
英文名称:
2-(5-hydroxy-1H-indol-3-yl)acetic acid
CAS No.:
54-16-0
分子式:
C7 2 H4 0
分子量:
905.0880
名称和标识符
MDL
MFCD00005639
InChIKey
JNXCGJQUBVERSU-KPDNVXIUSA-N
Inchi
1S/C72H40/c1-9-25-49-41(17-1)42-18-2-10-26-50(42)58-34-66-65(33-57(49)58)67-35-59-51-27-11-3-19-43(51)44-20-5-13-29-53(44)61(59)37-69(67)71-39-63-55-31-15-7-23-47(55)48-24-8-16-32-56(48)64(63)40-72(71)70-38-62-54-30-14-6-22-46(54)45-21-4-12-28-52(45)60(62)36-68(66)70/h1-40H/b67-65-,68-66-,71-69-,72-70-
SMILES
C12C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C=1C1C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C=1C1C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C=1C1C([H])=C3C4=C([H])C([H])=C([H])C([H])=C4C4=C([H])C([H])=C([H])C([H])=C4C3=C([H])C2=1
别名信息
- 中文别名 -
5-羟基吲哚-3-乙酸
5-羟基吲哚乙酸
2-氟-5-硝基苯甲醚
5 - 羟吲哚乙酸标准品
5-Hydroxyindole-3-acetic Acid 5-羟基吲哚-3-乙酸
- 英文别名 -
2-(5-Hydroxy-1H-indol-3-yl)acetic acid
5-Hydroxyindole-3-Aceticacid
5-HIAA
1H-Indole-3-aceticacid, 5-hydroxy-
HYDROXYINDOLYL-3-ACETIC ACID, 5-(RG)
5-Hydroxyindolacetic Acid
5-Oxyindoleacetic acid
NSC 90432
5-Hydroxy-1H-indole-3-acetic acid
Heptadecacyclo[54.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.038,55.040,53.041,46.047
5-Hydroxyindole-3-acetic acid
Heptadecacyclo[54.16.0.02,19.04,17.05,14.08,13.020,37.022,35.023,32.026,31.038,55.040,53.041,50.044,
2-(5-hydroxy-1H-indol-3-yl)acetic acid
5-Hydroxyindol-3-ylacetate
5HIAA
NS00014754
5-hydroxyindole acetate
H 8876
SMR000326665
5-hydroxy-indole-3-acetic acid
5-Oxyindoleacetate
FT-0679205
5-Hydroxy-1H-indole-3-acetate
5-Hydroxyindole-3-acetic acid, >=98% (HPLC), crystalline
bmse000364
NCIOpen2_001406
YHC763JY1P
PD015273
HMS3261P14
5-hydroxy-indol-3-yl-acetic acid
H-6200
5-Hydroxyindol-3-ylacetic acid
5-Hydroxyindoleacetic acid
NCGC00015522-03
DS-15683
CCRIS 4423
(5-hydroxy-1H-indol-3-yl)-acetic acid
Tox21_500636
5-hydroxyl indole-3-acetic acid
(5-hydroxyindol-3-yl)acetic acid
1H-Indole-3-acetic acid, 5-hydroxy-
BDBM50458878
MLS000859593
NCGC00094003-01
NCGC00015522-08
EN300-7407243
INDOLEACETIC ACID, 5-HYDROXY-
SR-01000075583
CS-W008253
CBMicro_013565
5-HydroxyindolessigsA currencyure
CHEBI:27823
HY-W008253
CHEMBL395915
NCGC00094003-02
5-hydroxy-indole acetate
Lopac-H-8876
Indole-3-acetic acid, 5-hydroxy-, 1H-
Oprea1_139007
(5-Hydroxy-1H-indol-3-yl)acetic acid
5-hydroxyindole-3-acetic-2,2-d2 acid
J-006135
2-(5-hydroxyindol-3-yl)acetic acid
2-(5-hydroxy-1H-indol-3-yl)acetic acid
5-HIAA
1H-Indole-3-aceticacid,5-hydroxy-
GTPL11900
Hydroxyindoleacetate
5-Hydroxyindolylacetic acid
HID
NCGC00015522-04
5-Hydroxyindolacetic acid
UNII-YHC763JY1P
SCHEMBL138121
5-Hydroxyindol-3-acetic acid
C05635
1H-Indoleacetic acid, hydroxy-
5-HO-IAA
74C13742-18FA-4D80-8B54-1B85D9463949
AKOS003382389
EU-0100636
5-Hydroxy-3-indoleacetic acid
1321-73-9
BRN 0168797
Lopac0_000636
5-hydroxy-Indole-3-acetate
SR-01000075583-1
MFCD00005639
5-22-05-00203 (Beilstein Handbook Reference)
BB 0260171
NSC-90432
HMS2230M10
Hydroxyindoleacetic acid
(1-AMINO-1-METHYLPROPYL)PHOSPHONICACIDHYDRATE
5-Hydroxyindolyacetic Acid,(S)
5-Hydroxyindoleacetate
HMS3372G16
(5-Hydroxy-1H-indol-3-yl)aceticacid
5-Hydroxy-IAA
(5-Hydroxy-1H-indol-3-yl)acetic acid #
LP00636
5-Hydroxyheteroauxin
5-Hydroxyindole-3-acetate
Indole-3-acetic acid, 5-hydroxy-
5-hydroxyindole acetic acid
H0355
FD13061
NCGC00261321-01
NSC90432
NCGC00015522-02
DTXSID50861582
NCGC00015522-01
Q238532
SDCCGSBI-0013441.P003
EINECS 200-195-4
FT-0620472
54-16-0
5-hydroxyindolylaceticacid
SY012014
5-Hydroxy-3-indolylacetate
CCG-221940
MLSMR
物化性质
实验特性
LogP
1.50060
PSA
73.32000
折射率
1.5310 (estimate)
沸点
497.1℃ at 760 mmHg
熔点
161-164 °C (dec.) (lit.)
闪点
254.4℃
溶解度
略溶 (11 g/L) (25 ºC),
颜色与性状
浅黄色结晶。对光和空气敏感。
溶解性
溶于水、乙醇和乙酸乙酯,微溶于乙醚。
敏感性
Light Sensitive
密度
1.496±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
191.05800
氢键供体数量
0
氢键受体数量
0
可旋转化学键数量
0
同位素质量
191.058
重原子数量
72
复杂度
1520
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
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)
无
互变异构体数量
9
表面电荷
0
拓扑分子极性表面积
0
海关数据
海关编码
2933990090
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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参考资料
Reaxys RN
168797
Beilstein
168797
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