51093-55-1
ROSEOFLAVIN
Name
ROSEOFLAVIN
Formula
C19 H24 N4 O6
MolWeight
404.421
1Identification
【Name】
ROSEOFLAVIN
【CAS】
【MDL】
MFCD00211182
【English Synonyms】
【Formula】
C19 H24 N4 O6
【MolWeight】
404.421
【Inchi】
InChI=1S/C19H24N4O6/c1-9-4-10-5-11-17(20-19(29)21-18(11)28)23(13(10)6-12(9)22(2)3)7-14(25)16(27)15(26)8-24/h4-6,14-16,24-27H,7-8H2,1-3H3,(H,21,28,29)/t14-,15+,16-/m0/s1
【InChIKey】
InChIKey=NBVTXZSNULQRFW-XHSDSOJGSA-N
【SMILES】
Cc1cc2cc-3c(=O)[nH]c(=O)nc3n(c2cc1N(C)C)C[C@@H]([C@@H]([C@@H](CO)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ROSEOFLAVIN.cml
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Business Type:Others
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