6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde

C35H47FO9S2 — CID 18729296

IUPAC6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde
SMILESCOC1C(C)C(OC2C(C)OC(OC3C(C)OC(F)C(Sc4ccccc4)C3OC)C(Sc3ccccc3)C2OC)OC(C)C1C=O
InChIInChI=1S/C35H47FO9S2/c1-19-26(38-5)25(18-37)20(2)42-34(19)44-28-22(4)43-35(32(30(28)40-7)47-24-16-12-9-13-17-24)45-27-21(3)41-33(36)31(29(27)39-6)46-23-14-10-8-11-15-23/h8-22,25-35H,1-7H3
InChIKeyZVQNWNVVJMUZPJ-UHFFFAOYSA-N
MW694.88 g/mol
LogP5.78
Rot. Bonds12

About 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde

6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde (PubChem CID 18729296) has the molecular formula C35H47FO9S2 and a molecular weight of 694.88 g/mol. Its IUPAC name is 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde.

Molecular Properties

Compound Name6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde
PubChem CID18729296
Molecular FormulaC35H47FO9S2
Molecular Weight694.88 g/mol
Exact Mass694.26
IUPAC Name6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde
SMILESCOC1C(C)C(OC2C(C)OC(OC3C(C)OC(F)C(Sc4ccccc4)C3OC)C(Sc3ccccc3)C2OC)OC(C)C1C=O
InChIInChI=1S/C35H47FO9S2/c1-19-26(38-5)25(18-37)20(2)42-34(19)44-28-22(4)43-35(32(30(28)40-7)47-24-16-12-9-13-17-24)45-27-21(3)41-33(36)31(29(27)39-6)46-23-14-10-8-11-15-23/h8-22,25-35H,1-7H3
InChIKeyZVQNWNVVJMUZPJ-UHFFFAOYSA-N
XLogP5.78
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde with MolForge

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Launch Full Analysis

Related Compounds

6-(6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde
CID 18729297
[2-[6-(6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-5,6-dimethyloxan-3-yl] 2,2-dimethylpropanoate
CID 59065463
[2-(6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-5-formyl-4-methoxy-6-methyloxan-3-yl] 2,2-dimethylpropanoate
CID 59065480
6-(5-Hydroxy-4-methoxy-2-methyl-6-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde
CID 18729295
6-Fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-ol;4-methoxy-2,6-dimethyl-5-phenylsulfanyloxan-3-ol;4-methoxy-2,5,6-trimethyloxane-3-carbaldehyde
CID 91521544

Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde?
The IUPAC name of 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde (CID 18729296) is 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde.
What is the SMILES notation for 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde?
The canonical SMILES for 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde is COC1C(C)C(OC2C(C)OC(OC3C(C)OC(F)C(Sc4ccccc4)C3OC)C(Sc3ccccc3)C2OC)OC(C)C1C=O.
What is the InChIKey of 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde?
The InChIKey is ZVQNWNVVJMUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47FO9S2/c1-19-26(38-5)25(18-37)20(2)42-34(19)44-28-22(4)43-35(32(30(28)40-7)47-24-16-12-9-13-17-24)45-27-21(3)41-33(36)31(29(27)39-6)46-23-14-10-8-11-15-23/h8-22,25-35H,1-7H3.
What are the key properties of 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde?
6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde has a molecular weight of 694.88 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-fluoro-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl)oxy-4-methoxy-2-methyl-5-phenylsulfanyloxan-3-yl]oxy-4-methoxy-2,5-dimethyloxane-3-carbaldehyde is sourced from PubChem (CID 18729296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).