2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione

C12H16N6O7 — CID 162900775

IUPAC2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione
SMILESO=c1nc2n(CC(O)C(O)C(O)CO)c3c(nc-2c(=O)[nH]1)NC(O)N3
InChIInChI=1S/C12H16N6O7/c19-2-4(21)6(22)3(20)1-18-8-5(10(23)17-12(25)15-8)13-7-9(18)16-11(24)14-7/h3-4,6,11,14,16,19-22,24H,1-2H2,(H,17,23,25)
InChIKeyFICGNMFGBPHGDF-UHFFFAOYSA-N
MW356.30 g/mol
LogP-4.38
Rot. Bonds5

About 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione

2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione (PubChem CID 162900775) has the molecular formula C12H16N6O7 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione.

Molecular Properties

Compound Name2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione
PubChem CID162900775
Molecular FormulaC12H16N6O7
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione
SMILESO=c1nc2n(CC(O)C(O)C(O)CO)c3c(nc-2c(=O)[nH]1)NC(O)N3
InChIInChI=1S/C12H16N6O7/c19-2-4(21)6(22)3(20)1-18-8-5(10(23)17-12(25)15-8)13-7-9(18)16-11(24)14-7/h3-4,6,11,14,16,19-22,24H,1-2H2,(H,17,23,25)
InChIKeyFICGNMFGBPHGDF-UHFFFAOYSA-N
XLogP-4.38
TPSA205.85 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500356.30
LogP ≤ 5-4.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione?
The IUPAC name of 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione (CID 162900775) is 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione.
What is the SMILES notation for 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione?
The canonical SMILES for 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione is O=c1nc2n(CC(O)C(O)C(O)CO)c3c(nc-2c(=O)[nH]1)NC(O)N3.
What is the InChIKey of 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione?
The InChIKey is FICGNMFGBPHGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O7/c19-2-4(21)6(22)3(20)1-18-8-5(10(23)17-12(25)15-8)13-7-9(18)16-11(24)14-7/h3-4,6,11,14,16,19-22,24H,1-2H2,(H,17,23,25).
What are the key properties of 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione?
2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione has a molecular weight of 356.30 g/mol, XLogP of -4.38, 5 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2,3,4,5-tetrahydroxypentyl)-2,3-dihydro-1H-imidazo[4,5-g]pteridine-6,8-dione is sourced from PubChem (CID 162900775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).