名称和标识符别名信息物化性质海关数据合成路线相关文献专业数据库参考化合物详情（旧版）相关产品

5-羟基戊酸 | 13392-69-3

中文名称： 5-羟基戊酸

英文名称： Pentanoic acid,5-hydroxy-

CAS No.： 13392-69-3

分子式： C₅H₁₀O₃

分子量： 118.1311

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：5-羟基戊酸结构式

PubChem CID： 25945

价格行情： 5-羟基戊酸价格

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5-羟基戊酸的其他展现形式

相关化合物

正己酸

Hexanoic acid

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月桂酸

Lauric acid

CAS No.：143-07-7
辛酸

Octanoic acid

CAS No.：124-07-2
十一烷酸

Undecanoic acid

CAS No.：112-37-8
壬二酸

Azelaic acid

CAS No.：123-99-9
己二酸

Adipic acid

CAS No.：124-04-9

名称和标识符

MDL	MFCD22192345
InChIKey	PHOJOSOUIAQEDH-UHFFFAOYSA-N
Inchi	InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
SMILES	C(CCO)CC(=O)O

别名信息

- 中文别名 -

5-羟基戊酸

- 英文别名 -

Pentanoic acid,5-hydroxy-
5-Hydroxypentanoic acid
5-HYDROXYPENTANOICACIDSODIUMSALT
5-hydroxy-pentanoic acid
5-Hydroxy-pentansaeure

5-Hydroxyvalerate
5-Hydroxy-valeriansaeure
5-Hydroxyvaleric acid
5-hydroxyvaleric acid, solidum salt
SB83906
SB83906
C02804
C02804
5-HYDROXYPENTANOIC ACID
5-HYDROXYPENTANOIC ACID
PDSP2_000341
PDSP2_000341
FT-0778643
FT-0778643
H5EVV4LP59
H5EVV4LP59
MFCD06203224
MFCD06203224
1w31
1w31
DTXSID10158420
DTXSID10158420
UNII-H5EVV4LP59
UNII-H5EVV4LP59
delta-hydroxyvalerate
delta-hydroxyvalerate
Valeric acid, 5-hydroxy-
Valeric acid, 5-hydroxy-
CHEMBL1205948
CHEMBL1205948
C72352
C72352
BCP10662
BCP10662
delta-Hydroxypentanoic acid
delta-Hydroxypentanoic acid
delta-Hydroxypentanoate
delta-Hydroxypentanoate
AKOS009345410
AKOS009345410
UMB58
UMB58
5-hydroxy valeric acid
5-hydroxy valeric acid
delta-hydrox yvaleric acid
delta-hydrox yvaleric acid
CHEBI:45564
CHEBI:45564
5-HYDROXYPENTANOICACID
5-HYDROXYPENTANOICACID
omega-hydroxyvaleric acid
omega-hydroxyvaleric acid
DB04781
DB04781
delta-hydroxyvaleric acid
delta-hydroxyvaleric acid
NS00068519
NS00068519
Q27095518
Q27095518
SCHEMBL28742
SCHEMBL28742
4-Oxy-butan-carbonsaeure
4-Oxy-butan-carbonsaeure
Pentanoic acid, 5-hydroxy-
Pentanoic acid, 5-hydroxy-
Omega-hydroxypentanoate
Omega-hydroxypentanoate
13392-69-3
13392-69-3
omega-hydroxypentanoic acid
omega-hydroxypentanoic acid
PDSP1_000343
PDSP1_000343
Omega-hydroxyvalerate
Omega-hydroxyvalerate
BS-12875
BS-12875
LMFA01050010
LMFA01050010
EN300-64758
EN300-64758
5-hydroxyvaleric acid
5-hydroxyvaleric acid
5-Hydroxy Pentanoic Acid
5-Hydroxy Pentanoic Acid

物化性质

实验特性

LogP	0.23360
PSA	57.53000
沸点	268.2℃ at 760 mmHg

计算特性

精确分子量	118.06300
氢键供体数量	2
氢键受体数量	3
可旋转化学键数量	4
同位素质量	118.062994177g/mol
重原子数量	8
复杂度	70.1
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）	-0.1
拓扑分子极性表面积	57.5Å²

海关数据

海关编码	2918199090
海关数据	中国海关编码： 2918199090 概述： HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% 申报要素：品名, 成分含量, 用途 Summary： 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

海关编码

2918199090

海关数据

中国海关编码：

2918199090

概述：

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

合成路线

合成路线：1 步

56-81-5

13392-69-3

13325-10-5

4048-33-3

2508-29-4

1191-25-9

928-40-5

927-55-9

629-11-8

627-98-5

626-95-9

626-89-1

591-81-1

111-29-5

110-63-4

反应条件：

1.1 Reagents: Calcium pantothenate , MOPS , Disodium phosphate , Ferrous sulfate , Ammonium sulfate , Ammonium chloride Catalysts: Acetyl coenzyme A acetyltransferase , Acyl coenzyme A dehydrogenase , 3-Hydroxyacyl coenzyme A dehydrogenase , Alcohol dehydrogenase , Fatty acyl coenzyme A reductase (aldehyde-forming) Solvents: Water ; 37 °C

参考文献：

Production of functionalized carboxylic acids and alcohols by reverse fatty acid oxidation in metabolically engineered microorganisms

, United States, , ,

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专业数据库参考

PubChemId	25945

化合物详情（旧版）

SMILES

OCCCCC(O)=O

5-羟基 戊酸 | 13392-69-3

中国海关编码：

概述：

申报要素：

Summary：

合成路线：1 步

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5-羟基戊酸 | 13392-69-3