6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione

C33H57NO13 — CID 163053807

About 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione (PubChem CID 163053807) has the molecular formula C33H57NO13 and a molecular weight of 675.81 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione.

Molecular Properties

• Compound Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
• PubChem CID: 163053807
• Molecular Formula: C33H57NO13
• Molecular Weight: 675.81 g/mol
• Exact Mass: 675.38
• IUPAC Name: 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
• SMILES: COC1CC(OC2CC(=O)OCC(C)C(O)C(C)C(=O)C3(CO3)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O
• InChI: InChI=1S/C33H57NO13/c1-16-13-42-24(35)11-22(46-25-12-23(41-9)27(37)20(5)45-25)18(3)30(47-31-28(38)21(34(7)8)10-17(2)44-31)32(6,40)14-33(15-43-33)29(39)19(4)26(16)36/h16-23,25-28,30-31,36-38,40H,10-15H2,1-9H3
• InChIKey: ABUBEWDQRGAYOA-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 186.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.81
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione?

The IUPAC name of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione (CID 163053807) is 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione.

What is the SMILES notation for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione?

The canonical SMILES for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione is COC1CC(OC2CC(=O)OCC(C)C(O)C(C)C(=O)C3(CO3)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O.

What is the InChIKey of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione?

The InChIKey is ABUBEWDQRGAYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H57NO13/c1-16-13-42-24(35)11-22(46-25-12-23(41-9)27(37)20(5)45-25)18(3)30(47-31-28(38)21(34(7)8)10-17(2)44-31)32(6,40)14-33(15-43-33)29(39)19(4)26(16)36/h16-23,25-28,30-31,36-38,40H,10-15H2,1-9H3.

What are the key properties of 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione?

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione has a molecular weight of 675.81 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,13,15-tetramethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione is sourced from PubChem (CID 163053807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).