Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS#: 1383119-39-8; 凯望编码 (ChemWhat Code): 1491030

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate)
IUPAC NameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-hydroxy-2-methylpropanethioate
分子结构Structure of 2-hydroxyisobutyryl-CoA CAS 1383119-39-8
CAS编号 1383119-39-8
别名1383119-39-8
SCHEMBL12409230
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-hydroxy-2-methylpropanethioate
分子式C25H42N7O18P3S
分子量853.6 
InChIInChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)  
InChI KeyFFVUICCDNWZCRC-UHFFFAOYSA-N
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O

Physical Data

AppearanceWhite powder

Spectra

Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS#: 1383119-39-8 HNMRHNMR of Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS 1383119-39-8
Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS#: 1383119-39-8 LCMSLCMS of Tacrolimus Open Ring Impurity CAS 144432-23-5LCMS of Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS 1383119-39-8

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS 1383119-39-8
Route of Synthesis (ROS) of Coenzyme A. 5-(2-hydroxy-2-methy Ipropanoate) CAS 1383119-39-8
ConditionsYield
With 2-hydroxyisobutyryl coenzyme A mutase Enzymatic reaction;

Safety and Hazards

No data available

Other Data

TransportationUnder the room temperature and away from light
HS Code
StorageUnder the room temperature and away from light
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
分子量853.632
logP-6.472
HBA25
HBD10
Matching Lipinski Rules1
Veber rules component
Polar Surface Area (PSA)438.59
Rotatable Bond (RotB)23
Matching Veber Rules0
Use Pattern
Commonly used in metabolic research, simulation of enzyme reaction mechanisms or inhibitor research, probe molecules in metabolic pathway regulation, substrates or intermediates in biosynthesis.

试剂采购

没有试剂厂商? 向凯望发送快速询价
想要被列为试剂厂商? (付费服务) 点击这里联系凯望

认证生产商

Watson Bio Ltd https://www.watson-bio.com/
想要被列为认证生产商 (需要通过认证)? 请下载并填写 这份表格并发邮件到approved-manufacturers@chemwhat.com

其他供应商

Watson International Limited 访问Watson官网

如需其他帮助，请联系我们

联系我们获取其它信息或服务 点击这里联系凯望