6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid

C12H12N4O8 — CID 11474637

IUPAC6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(=O)[nH]n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)c2n1
InChIInChI=1S/C12H12N4O8/c17-2-4-7(18)8(19)11(24-4)16-10(21)6-5(9(20)15-16)13-1-3(14-6)12(22)23/h1,4,7-8,11,17-19H,2H2,(H,15,20)(H,22,23)/t4-,7-,8-,11-/m1/s1
InChIKeyCULMLDFMUPUIKS-TZQXKBMNSA-N
MW340.25 g/mol
LogP-3.21
Rot. Bonds3

About 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid

6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid (PubChem CID 11474637) has the molecular formula C12H12N4O8 and a molecular weight of 340.25 g/mol. Its IUPAC name is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid
PubChem CID11474637
Molecular FormulaC12H12N4O8
Molecular Weight340.25 g/mol
Exact Mass340.07
IUPAC Name6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(=O)[nH]n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)c2n1
InChIInChI=1S/C12H12N4O8/c17-2-4-7(18)8(19)11(24-4)16-10(21)6-5(9(20)15-16)13-1-3(14-6)12(22)23/h1,4,7-8,11,17-19H,2H2,(H,15,20)(H,22,23)/t4-,7-,8-,11-/m1/s1
InChIKeyCULMLDFMUPUIKS-TZQXKBMNSA-N
XLogP-3.21
TPSA187.86 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 5-3.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid with MolForge

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Related Compounds

sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione
CID 11290547
9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one
CID 137090331
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-5-one
CID 22214815
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;dihydrate
CID 22508218
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093
9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(fluoroamino)-1H-purin-6-one
CID 156630904
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135407110
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(hydroxymethyl)-1H-purin-6-one
CID 135599155
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663942
2-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
CID 102404057
2-[1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetic acid
CID 123211349
8-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 162785253

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid (CID 11474637) is 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid is O=C(O)c1cnc2c(=O)[nH]n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)c2n1.
What is the InChIKey of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid?
The InChIKey is CULMLDFMUPUIKS-TZQXKBMNSA-N. The full InChI is InChI=1S/C12H12N4O8/c17-2-4-7(18)8(19)11(24-4)16-10(21)6-5(9(20)15-16)13-1-3(14-6)12(22)23/h1,4,7-8,11,17-19H,2H2,(H,15,20)(H,22,23)/t4-,7-,8-,11-/m1/s1.
What are the key properties of 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid?
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid has a molecular weight of 340.25 g/mol, XLogP of -3.21, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid is sourced from PubChem (CID 11474637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).