82948-88-7
5(S),6(R)-DIHETE
Name
5(S),6(R)-DIHETE
Formula
C20 H32 O4
MolWeight
336.469
1Identification
【Name】
5(S),6(R)-DIHETE
【CAS】
【MDL】
MFCD00063579
【English Synonyms】
【Formula】
C20 H32 O4
【MolWeight】
336.469
【Inchi】
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-13,15,18-19,21-22H,2-5,8,14,16-17H2,1H3,(H,23,24)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m1/s1
【InChIKey】
InChIKey=UVZBUUTTYHTDRR-NSEFZGNTSA-N
【SMILES】
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
5(S),6(R)-DIHETE.cml
Quick Release
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