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5-deazariboflavin

5-deazariboflavin structure

CAS No:
19342-73-5
Formula:
C18H21N3O6
Chemical Name:
5-deazariboflavin
Synonyms:
5-deazariboflavin;1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol;5-Carbariboflavin;7,8-Dimethyl-10-(1-deoxy-D-ribitol-1-yl)-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
Categories:
Dyes and Pigments > Pigment

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5-deazariboflavin Basic Attributes

Molecular Weight：

375.37584

Exact Mass：

375.143

Characteristics

PSA：

143

XLogP3：

-0.9

Density：

1.57±0.1 g/cm3(Predicted)

Melting Point：

278-282 °C(Solv: water (7732-18-5))

Drug Information

MeSH Entry Terms：

5-deazariboflavin

5-deazariboflavin Use and Manufacturing

1-Deazariboflavin, is the derivative of (-)-Riboflavin (R414995), known as vitamin B2 .5-Deazariboflavin,is also utilized in photosensitized cleavage of thymine dimer, used in the study of the action of photoreactivation enzymes. It is also used in synthesis of 5-deazaflavin adenine dinucleotide (5-dFAD).

Computed Properties

Molecular Weight:375.4
XLogP3:-0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:375.14303540
Monoisotopic Mass:375.14303540
Topological Polar Surface Area:143
Heavy Atom Count:27
Complexity:678
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes