11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

C38H32N2O9 — CID 163012107

About 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one (PubChem CID 163012107) has the molecular formula C38H32N2O9 and a molecular weight of 660.68 g/mol. Its IUPAC name is 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one.

Molecular Properties

• Compound Name: 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
• PubChem CID: 163012107
• Molecular Formula: C38H32N2O9
• Molecular Weight: 660.68 g/mol
• Exact Mass: 660.21
• IUPAC Name: 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
• SMILES: Cn1c2c(O)cccc2c(=O)c2c(O)cc3c(c21)C=C[C@](C)(COc1c(O)ccc2c(=O)c4c(O)cc5c(c4n(C)c12)C=CC(C)(C)O5)O3
• InChI: InChI=1S/C38H32N2O9/c1-37(2)13-11-18-26(48-37)15-24(43)29-32(18)40(5)33-21(35(29)46)9-10-23(42)36(33)47-17-38(3)14-12-19-27(49-38)16-25(44)28-31(19)39(4)30-20(34(28)45)7-6-8-22(30)41/h6-16,41-44H,17H2,1-5H3/t38-/m1/s1
• InChIKey: YSTMDXZQPAOBAY-KXQOOQHDSA-N
• XLogP: 5.95
• TPSA: 152.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	660.68
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?

The IUPAC name of 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one (CID 163012107) is 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one.

What is the SMILES notation for 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?

The canonical SMILES for 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one is Cn1c2c(O)cccc2c(=O)c2c(O)cc3c(c21)C=C[C@](C)(COc1c(O)ccc2c(=O)c4c(O)cc5c(c4n(C)c12)C=CC(C)(C)O5)O3.

What is the InChIKey of 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?

The InChIKey is YSTMDXZQPAOBAY-KXQOOQHDSA-N. The full InChI is InChI=1S/C38H32N2O9/c1-37(2)13-11-18-26(48-37)15-24(43)29-32(18)40(5)33-21(35(29)46)9-10-23(42)36(33)47-17-38(3)14-12-19-27(49-38)16-25(44)28-31(19)39(4)30-20(34(28)45)7-6-8-22(30)41/h6-16,41-44H,17H2,1-5H3/t38-/m1/s1.

What are the key properties of 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?

11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one has a molecular weight of 660.68 g/mol, XLogP of 5.95, 3 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[[(3R)-6,11-dihydroxy-3,12-dimethyl-7-oxopyrano[2,3-c]acridin-3-yl]methoxy]-6,10-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 163012107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).