5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid

C30H55NO15S — CID 59745474

IUPAC5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCSCC(C)C(=O)CC1OC(O)(C(=O)O)CC(O)C1NC(C)=O
InChIInChI=1S/C30H55NO15S/c1-23(25(33)20-27-28(31-24(2)32)26(34)21-30(37,46-27)29(35)36)22-47-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-7-6-39-5-4-38-3/h23,26-28,34,37H,4-22H2,1-3H3,(H,31,32)(H,35,36)
InChIKeyMGJWXVAFOVHQJG-UHFFFAOYSA-N
MW701.83 g/mol
LogP-0.49
Rot. Bonds31

About 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid

5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid (PubChem CID 59745474) has the molecular formula C30H55NO15S and a molecular weight of 701.83 g/mol. Its IUPAC name is 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid
PubChem CID59745474
Molecular FormulaC30H55NO15S
Molecular Weight701.83 g/mol
Exact Mass701.33
IUPAC Name5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCSCC(C)C(=O)CC1OC(O)(C(=O)O)CC(O)C1NC(C)=O
InChIInChI=1S/C30H55NO15S/c1-23(25(33)20-27-28(31-24(2)32)26(34)21-30(37,46-27)29(35)36)22-47-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-7-6-39-5-4-38-3/h23,26-28,34,37H,4-22H2,1-3H3,(H,31,32)(H,35,36)
InChIKeyMGJWXVAFOVHQJG-UHFFFAOYSA-N
XLogP-0.49
TPSA207.00 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds31
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid?
The IUPAC name of 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid (CID 59745474) is 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid?
The canonical SMILES for 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid is COCCOCCOCCOCCOCCOCCOCCOCCSCC(C)C(=O)CC1OC(O)(C(=O)O)CC(O)C1NC(C)=O.
What is the InChIKey of 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid?
The InChIKey is MGJWXVAFOVHQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO15S/c1-23(25(33)20-27-28(31-24(2)32)26(34)21-30(37,46-27)29(35)36)22-47-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-7-6-39-5-4-38-3/h23,26-28,34,37H,4-22H2,1-3H3,(H,31,32)(H,35,36).
What are the key properties of 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid?
5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid has a molecular weight of 701.83 g/mol, XLogP of -0.49, 31 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2,4-dihydroxy-6-[4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-3-methyl-2-oxobutyl]oxane-2-carboxylic acid is sourced from PubChem (CID 59745474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).