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

C17H18O6 — CID 11267116

IUPAC(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
SMILESCOc1c([C@H]2OC(=O)C[C@H]2O)cc(OC)c2c(OC)cccc12
InChIInChI=1S/C17H18O6/c1-20-12-6-4-5-9-15(12)13(21-2)7-10(16(9)22-3)17-11(18)8-14(19)23-17/h4-7,11,17-18H,8H2,1-3H3/t11-,17-/m1/s1
InChIKeyCUKJILGDVCWXLG-PIGZYNQJSA-N
MW318.33 g/mol
LogP2.21
Rot. Bonds4

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

(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one (PubChem CID 11267116) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
PubChem CID11267116
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one
SMILESCOc1c([C@H]2OC(=O)C[C@H]2O)cc(OC)c2c(OC)cccc12
InChIInChI=1S/C17H18O6/c1-20-12-6-4-5-9-15(12)13(21-2)7-10(16(9)22-3)17-11(18)8-14(19)23-17/h4-7,11,17-18H,8H2,1-3H3/t11-,17-/m1/s1
InChIKeyCUKJILGDVCWXLG-PIGZYNQJSA-N
XLogP2.21
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one (CID 11267116) is (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one is COc1c([C@H]2OC(=O)C[C@H]2O)cc(OC)c2c(OC)cccc12.
What is the InChIKey of (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one?
The InChIKey is CUKJILGDVCWXLG-PIGZYNQJSA-N. The full InChI is InChI=1S/C17H18O6/c1-20-12-6-4-5-9-15(12)13(21-2)7-10(16(9)22-3)17-11(18)8-14(19)23-17/h4-7,11,17-18H,8H2,1-3H3/t11-,17-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one?
(4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one has a molecular weight of 318.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-5-(1,4,5-trimethoxynaphthalen-2-yl)oxolan-2-one is sourced from PubChem (CID 11267116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).