(9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

C42H58N2O14 — CID 162862741

About (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

(9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 162862741) has the molecular formula C42H58N2O14 and a molecular weight of 814.93 g/mol. Its IUPAC name is (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

• Compound Name: (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
• PubChem CID: 162862741
• Molecular Formula: C42H58N2O14
• Molecular Weight: 814.93 g/mol
• Exact Mass: 814.39
• IUPAC Name: (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
• SMILES: CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1OC1CC(N(C)C)C(OC2CC(N(C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O
• InChI: InChI=1S/C42H58N2O14/c1-9-42(52)14-13-22-31(38(51)33-32(36(22)49)37(50)30-21(35(33)48)11-10-12-25(30)45)41(42)58-28-16-24(44(7)8)39(20(4)55-28)56-27-15-23(43(5)6)40(19(3)54-27)57-29-17-26(46)34(47)18(2)53-29/h10-12,18-20,23-24,26-29,34,39-41,45-47,49,51-52H,9,13-17H2,1-8H3/t18?,19?,20?,23?,24?,26?,27?,28?,29?,34?,39?,40?,41-,42-/m1/s1
• InChIKey: GFTNSXNEOAXEMD-KAHYTWBYSA-N
• XLogP: 2.48
• TPSA: 217.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	814.93
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?

The IUPAC name of (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 162862741) is (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

What is the SMILES notation for (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?

The canonical SMILES for (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1OC1CC(N(C)C)C(OC2CC(N(C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O.

What is the InChIKey of (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?

The InChIKey is GFTNSXNEOAXEMD-KAHYTWBYSA-N. The full InChI is InChI=1S/C42H58N2O14/c1-9-42(52)14-13-22-31(38(51)33-32(36(22)49)37(50)30-21(35(33)48)11-10-12-25(30)45)41(42)58-28-16-24(44(7)8)39(20(4)55-28)56-27-15-23(43(5)6)40(19(3)54-27)57-29-17-26(46)34(47)18(2)53-29/h10-12,18-20,23-24,26-29,34,39-41,45-47,49,51-52H,9,13-17H2,1-8H3/t18?,19?,20?,23?,24?,26?,27?,28?,29?,34?,39?,40?,41-,42-/m1/s1.

What are the key properties of (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?

(9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 814.93 g/mol, XLogP of 2.48, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (9R,10R)-10-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 162862741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).