| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 27 | Yes |
1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol
7,8-Dimethyl-10-(2,3,4,5-tetrahydroxy-pentyl)-10H-benzo[g]pteridine-2,4-dione
7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-1H-benzo[g]pteridin-10-ium-2,4-dione
83-88-5; riboflavin; vitamin B2
pentitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.76 | -6.04 | -22.91 | 5 | 10 | 0 | 162 | 376.369 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Widely distributed, but occurs naturally in free form only in the retina, in whey and in urine. Main forms occurring in tissues and cells are flavine mononucleotide and flavine-a | ZereneX Building Blocks |
| Molecular_Solubility | 2.64 | Bitter DB |
| mp | 184 - 186 | MolMall (formerly Molecular Diversity Preservation International) |
| mp | 290 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| mechanism | Enzyme cofactor | IBScreen Bioactives |
| biological_use | Vitamin B2 | IBScreen Bioactives IBScreen Bioactives |
