(10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione

C26H30O7 — CID 130194205

IUPAC(10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC(C)C)C(C)(OC)C(C)(C)C3
InChIInChI=1S/C26H30O7/c1-12(2)33-24-18-13(11-25(3,4)26(24,5)32-7)8-15-20(22(18)29)23(30)19-16(21(15)28)9-14(31-6)10-17(19)27/h8-10,12,24,27,29H,11H2,1-7H3/t24-,26?/m1/s1
InChIKeyGTYASUOJONCYLI-RMVMEJTISA-N
MW454.52 g/mol
LogP4.34
Rot. Bonds4

About (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione

(10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione (PubChem CID 130194205) has the molecular formula C26H30O7 and a molecular weight of 454.52 g/mol. Its IUPAC name is (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione.

Molecular Properties

Compound Name(10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione
PubChem CID130194205
Molecular FormulaC26H30O7
Molecular Weight454.52 g/mol
Exact Mass454.20
IUPAC Name(10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC(C)C)C(C)(OC)C(C)(C)C3
InChIInChI=1S/C26H30O7/c1-12(2)33-24-18-13(11-25(3,4)26(24,5)32-7)8-15-20(22(18)29)23(30)19-16(21(15)28)9-14(31-6)10-17(19)27/h8-10,12,24,27,29H,11H2,1-7H3/t24-,26?/m1/s1
InChIKeyGTYASUOJONCYLI-RMVMEJTISA-N
XLogP4.34
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione?
The IUPAC name of (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione (CID 130194205) is (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione.
What is the SMILES notation for (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione?
The canonical SMILES for (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione is COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H](OC(C)C)C(C)(OC)C(C)(C)C3.
What is the InChIKey of (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione?
The InChIKey is GTYASUOJONCYLI-RMVMEJTISA-N. The full InChI is InChI=1S/C26H30O7/c1-12(2)33-24-18-13(11-25(3,4)26(24,5)32-7)8-15-20(22(18)29)23(30)19-16(21(15)28)9-14(31-6)10-17(19)27/h8-10,12,24,27,29H,11H2,1-7H3/t24-,26?/m1/s1.
What are the key properties of (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione?
(10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione has a molecular weight of 454.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-1,11-dihydroxy-3,9-dimethoxy-8,8,9-trimethyl-10-propan-2-yloxy-7,10-dihydrotetracene-5,12-dione is sourced from PubChem (CID 130194205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).