3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione

C13H14N2O6 — CID 123158942

IUPAC3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione
SMILESO=c1ccc2cc(C3OC(CO)C(O)C3O)c(=O)[nH]c2[nH]1
InChIInChI=1S/C13H14N2O6/c16-4-7-9(18)10(19)11(21-7)6-3-5-1-2-8(17)14-12(5)15-13(6)20/h1-3,7,9-11,16,18-19H,4H2,(H2,14,15,17,20)
InChIKeyDCULAVYDBDDEAO-UHFFFAOYSA-N
MW294.26 g/mol
LogP-1.63
Rot. Bonds2

About 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione

3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione (PubChem CID 123158942) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione.

Molecular Properties

Compound Name3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione
PubChem CID123158942
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione
SMILESO=c1ccc2cc(C3OC(CO)C(O)C3O)c(=O)[nH]c2[nH]1
InChIInChI=1S/C13H14N2O6/c16-4-7-9(18)10(19)11(21-7)6-3-5-1-2-8(17)14-12(5)15-13(6)20/h1-3,7,9-11,16,18-19H,4H2,(H2,14,15,17,20)
InChIKeyDCULAVYDBDDEAO-UHFFFAOYSA-N
XLogP-1.63
TPSA135.64 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydropyrido[2,3-d]pyrimidine-2,7-dione
CID 122543350
3-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dimethyl-1H-1,8-naphthyridin-2-one
CID 118004864
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823806
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 123820679
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823876
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyridin-2-one
CID 118004766
7-hydroxy-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
CID 88741644
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-1H-1,8-naphthyridin-2-one
CID 144823865
3-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-1,8-naphthyridine-2-thione
CID 118005077
7-[[(4S,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-1H-quinolin-2-one
CID 126591227

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione?
The IUPAC name of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione (CID 123158942) is 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione.
What is the SMILES notation for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione?
The canonical SMILES for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione is O=c1ccc2cc(C3OC(CO)C(O)C3O)c(=O)[nH]c2[nH]1.
What is the InChIKey of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione?
The InChIKey is DCULAVYDBDDEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c16-4-7-9(18)10(19)11(21-7)6-3-5-1-2-8(17)14-12(5)15-13(6)20/h1-3,7,9-11,16,18-19H,4H2,(H2,14,15,17,20).
What are the key properties of 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione?
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione has a molecular weight of 294.26 g/mol, XLogP of -1.63, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydro-1,8-naphthyridine-2,7-dione is sourced from PubChem (CID 123158942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).