(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one

C18H20O7 — CID 154707005

IUPAC(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one
SMILESCOc1ccc(OC)c2c(OC)c([C@H]3OC(=O)C[C@H]3O)cc(OC)c12
InChIInChI=1S/C18H20O7/c1-21-11-5-6-12(22-2)16-15(11)13(23-3)7-9(18(16)24-4)17-10(19)8-14(20)25-17/h5-7,10,17,19H,8H2,1-4H3/t10-,17-/m1/s1
InChIKeyDLBWETHJMGDELZ-BMLIUANNSA-N
MW348.35 g/mol
LogP2.22
Rot. Bonds5

About (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one

(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one (PubChem CID 154707005) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one
PubChem CID154707005
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Name(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one
SMILESCOc1ccc(OC)c2c(OC)c([C@H]3OC(=O)C[C@H]3O)cc(OC)c12
InChIInChI=1S/C18H20O7/c1-21-11-5-6-12(22-2)16-15(11)13(23-3)7-9(18(16)24-4)17-10(19)8-14(20)25-17/h5-7,10,17,19H,8H2,1-4H3/t10-,17-/m1/s1
InChIKeyDLBWETHJMGDELZ-BMLIUANNSA-N
XLogP2.22
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R,5R)-5-(6-bromo-1,4,5,8-tetramethoxynaphthalen-2-yl)-4-hydroxyoxolan-2-one
CID 134955869
(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
CID 11267116
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967
(4R,5R)-4-acetyl-5-(3,4-dimethoxyphenyl)oxolan-2-one
CID 71428897
(2S,3R)-2-(2,3-dimethoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 97034788
(4R,5S)-4-hydroxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]oxolan-2-one
CID 141278370
(11R,15R,17R)-2,4,5,9-tetramethoxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
CID 56590221
3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3478799
(11R,15R)-2,4,9,17-tetramethoxy-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),4,6,9-pentaen-13-one
CID 72724374
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
1,4,5,8-tetramethoxynaphthalene-2-carboxamide
CID 15362247

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one (CID 154707005) is (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one is COc1ccc(OC)c2c(OC)c([C@H]3OC(=O)C[C@H]3O)cc(OC)c12.
What is the InChIKey of (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one?
The InChIKey is DLBWETHJMGDELZ-BMLIUANNSA-N. The full InChI is InChI=1S/C18H20O7/c1-21-11-5-6-12(22-2)16-15(11)13(23-3)7-9(18(16)24-4)17-10(19)8-14(20)25-17/h5-7,10,17,19H,8H2,1-4H3/t10-,17-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one?
(4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one has a molecular weight of 348.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-5-(1,4,5,8-tetramethoxynaphthalen-2-yl)oxolan-2-one is sourced from PubChem (CID 154707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).