Methyl-ethyl-monohydro-lumiflavin

HCID 192129

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Basic information

CAS: 78169-56-9
Standard SMILES: CCN1c2cc(C)c(C)cc2N(C)c2nc([O])n(C)c(=O)c21
InChIKey: OUBYQOCZLAOQKR-UHFFFAOYSA-N
Molecular formula: C16H19N4O2
Average molar mass: 299.35 g/mol
Monoisotopic mass: 299.15080086

Names & identifiers

Preferred name: Methyl-ethyl-monohydro-lumiflavin
IUPAC: 5-Ethyl-3,7,8,10-tetramethyl-2,4-dioxo-3,4,5,10-tetrahydrobenzo[g]pteridin-1(2H)-yl

Names & synonyms

Methyl-ethyl-monohydro-lumiflavin78169-56-9Benzo(g)pteridin-5-iumyl, 5-ethyl-2,3,5,10-tetrahydro-4-hydroxy-3,7,8,10-tetramethyl-2-oxo-, hydroxide, inner saltRefChem:158119DTXCID00151309DTXSID50228818Benzo(g)pteridinyl, 5-ethyl-2,3,4,5,10,-hexahydro-3,7,8,10-tetramethyl-2,4-dioxo-Benzo(g)pteridinyl, 5-ethyl-2,3,4,5,10,?-hexahydro-3,7,8,10-tetramethyl-2,4-dioxo-

Database identifiers

CAS: 78169-56-9
PubChem CID: 192129
DTXSID: DTXSID50228818
Nikkaji: J781.194B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 556

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