53791-74-5
S-TUBERCIDINYL-D,L-HOMOCYSTEINE
Name
S-TUBERCIDINYL-D,L-HOMOCYSTEINE
Formula
C15 H21 N5 O5 S
MolWeight
383.427
1Identification
【Name】
S-TUBERCIDINYL-D,L-HOMOCYSTEINE
【CAS】
【MDL】
MFCD12964305
【English Synonyms】
【Formula】
C15 H21 N5 O5 S
【MolWeight】
383.427
【Inchi】
InChI=1S/C15H21N5O5S/c16-8(15(23)24)2-4-26-5-9-10(21)11(22)14(25-9)20-3-1-7-12(17)18-6-19-13(7)20/h1,3,6,8-11,14,21-22H,2,4-5,16H2,(H,23,24)(H2,17,18,19)/t8?,9-,10-,11-,14-/m1/s1
【InChIKey】
InChIKey=VIRPSVXGKGPXDV-LIUBQLNZSA-N
【SMILES】
c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCC(C(=O)O)N)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-TUBERCIDINYL-D,L-HOMOCYSTEINE.cml
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