95693-76-8
5,10-DIDEAZATETRAHYDROFOLIC ACID
Name
5,10-DIDEAZATETRAHYDROFOLIC ACID
Formula
C21 H25 N5 O6
MolWeight
443.457
1Identification
【Name】
5,10-DIDEAZATETRAHYDROFOLIC ACID
【CAS】
【MDL】
MFCD01725238
【English Synonyms】
【Formula】
C21 H25 N5 O6
【MolWeight】
443.457
【Inchi】
InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12?,15-/m0/s1
【InChIKey】
InChIKey=ZUQBAQVRAURMCL-CVRLYYSRSA-N
【SMILES】
c1cc(ccc1CCC2Cc3c([nH]c(nc3=O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,10-DIDEAZATETRAHYDROFOLIC ACID.cml
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