[5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate

C30H50O15 — CID 163025863

About [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate

[5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate (PubChem CID 163025863) has the molecular formula C30H50O15 and a molecular weight of 650.71 g/mol. Its IUPAC name is [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate.

Molecular Properties

• Compound Name: [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate
• PubChem CID: 163025863
• Molecular Formula: C30H50O15
• Molecular Weight: 650.71 g/mol
• Exact Mass: 650.31
• IUPAC Name: [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate
• SMILES: COC1CC(=O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1
• InChI: InChI=1S/C30H50O15/c1-13-24(33)28(37-9)29(42-17(5)31)30(41-13)45-27-16(4)40-23(12-20(27)36-8)44-26-15(3)39-22(11-19(26)35-7)43-25-14(2)38-21(32)10-18(25)34-6/h13-16,18-20,22-30,33H,10-12H2,1-9H3
• InChIKey: RBAIGJPIFPBWRQ-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 165.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.71
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate?

The IUPAC name of [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate (CID 163025863) is [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate.

What is the SMILES notation for [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate?

The canonical SMILES for [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate is COC1CC(=O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1.

What is the InChIKey of [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate?

The InChIKey is RBAIGJPIFPBWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O15/c1-13-24(33)28(37-9)29(42-17(5)31)30(41-13)45-27-16(4)40-23(12-20(27)36-8)44-26-15(3)39-22(11-19(26)35-7)43-25-14(2)38-21(32)10-18(25)34-6/h13-16,18-20,22-30,33H,10-12H2,1-9H3.

What are the key properties of [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate?

[5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate has a molecular weight of 650.71 g/mol, XLogP of 0.84, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [5-hydroxy-4-methoxy-2-[4-methoxy-6-[4-methoxy-6-(4-methoxy-2-methyl-6-oxooxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxan-3-yl] acetate is sourced from PubChem (CID 163025863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).