2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione

C14H10O5 — CID 10901296

IUPAC2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
SMILESO=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C14H10O5/c15-10-5-9(14-11(16)6-12(17)19-14)13(18)8-4-2-1-3-7(8)10/h1-5,11,14,16H,6H2/t11-,14-/m1/s1
InChIKeyLVEBUCVBJRBSIE-BXUZGUMPSA-N
MW258.23 g/mol
LogP0.67
Rot. Bonds1

About 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione

2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione (PubChem CID 10901296) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
PubChem CID10901296
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione
SMILESO=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C14H10O5/c15-10-5-9(14-11(16)6-12(17)19-14)13(18)8-4-2-1-3-7(8)10/h1-5,11,14,16H,6H2/t11-,14-/m1/s1
InChIKeyLVEBUCVBJRBSIE-BXUZGUMPSA-N
XLogP0.67
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

Juglomycin A
CID 10084702
Juglomycin B
CID 10107374
1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid
CID 589730
7-Deoxykalafungin
CID 25189112
7-Deoxyfrenolicin B
CID 25189383
Pyranonaphthoquinone (PNQ) lactone, 11a
CID 42618237
Pyranonaphthoquinone (PNQ) lactone, 11i
CID 42618243
Pyranonaphthoquinone (PNQ) lactone, 11k
CID 42618245
Pyranonaphthoquinone (PNQ) lactone, 11m
CID 42618247
Pyranonaphthoquinone (PNQ) lactone, 11c
CID 42625066
5-Hydroxy-2-(3-hydroxy-5-oxooxolan-2-yl)naphthalene-1,4-dione
CID 14378506
1,3-Isobenzofurandione, polymer with 2,5-furandione and 1,2-propanediol
CID 159988

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
The IUPAC name of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione (CID 10901296) is 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione.
What is the SMILES notation for 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
The canonical SMILES for 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione is O=C1C[C@@H](O)[C@@H](C2=CC(=O)c3ccccc3C2=O)O1.
What is the InChIKey of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
The InChIKey is LVEBUCVBJRBSIE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H10O5/c15-10-5-9(14-11(16)6-12(17)19-14)13(18)8-4-2-1-3-7(8)10/h1-5,11,14,16H,6H2/t11-,14-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione?
2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione has a molecular weight of 258.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]naphthalene-1,4-dione is sourced from PubChem (CID 10901296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).