Structure

Antibiotic L-681,217

CAS
93522-10-2
Catalog Number
ACM93522102
Category
Heterocyclic Organic Compound
Molecular Weight
659.806720 [g/mol]
Molecular Formula
C36H53NO10

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Specification

Synonyms
AC1O5SNM, L 681217, 93522-10-2, L-681,217, (2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid, 2,4,6-Heptatrienoic acid, 7-(tetrahydro-3-hydroxy-5-(2-methoxy-1,3-dimethyl-7-((1-oxo-2-(tetrahydro-2,4,5-trihydroxy-5-methyl-6-(1,3-pentadienyl)-2H-pyran-2-yl)butyl)amino)-3,5-heptadienyl)-2-furanyl)-
IUPAC Name
(2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid
InChI Key
OSKAZZUZQORABG-UQKUNJBPSA-N
H-Bond Acceptor
10
H-Bond Donor
6
What is the molecular formula of Antibiotic L-681,217?

The molecular formula of Antibiotic L-681,217 is C36H53NO10.

What are the synonyms of Antibiotic L-681,217?

The synonyms of Antibiotic L-681,217 are 93522-10-2, L 681217, and L-681,217.

When was Antibiotic L-681,217 created?

Antibiotic L-681,217 was created on April 28, 2006.

When was the last modification made to Antibiotic L-681,217?

The last modification to Antibiotic L-681,217 was made on December 30, 2023.

What is the molecular weight of Antibiotic L-681,217?

The molecular weight of Antibiotic L-681,217 is 659.8 g/mol.

What is the IUPAC name of Antibiotic L-681,217?

The IUPAC name of Antibiotic L-681,217 is "(2E,4E,6E)-7-[3-hydroxy-5-[(4E,6E)-3-methoxy-4-methyl-8-[2-[2,4,5-trihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanoylamino]octa-4,6-dien-2-yl]oxolan-2-yl]hepta-2,4,6-trienoic acid."

What is the InChI of Antibiotic L-681,217?

The InChI of Antibiotic L-681,217 is "InChI=1S/C36H53NO10/c1-7-9-12-19-31-35(5,43)30(39)23-36(44,47-31)26(8-2)34(42)37-21-16-15-17-24(3)33(45-6)25(4)29-22-27(38)28(46-29)18-13-10-11-14-20-32(40)41/h7,9-20,25-31,33,38-39,43-44H,8,21-23H2,1-6H3,(H,37,42)(H,40,41)/b9-7+,11-10+,16-15+,18-13+,19-12+,20-14+,24-17+."

What is the Canonical SMILES of Antibiotic L-681,217?

The Canonical SMILES of Antibiotic L-681,217 is "CCC(C(=O)NCC=CC=C(C)C(C(C)C1CC(C(O1)C=CC=CC=CC(=O)O)O)OC)C2(CC(C(C(O2)C=CC=CC)(C)O)O)O."

What is the XLogP3-AA value of Antibiotic L-681,217?

The XLogP3-AA value of Antibiotic L-681,217 is 3.6.

What is the hydrogen bond donor count of Antibiotic L-681,217?

The hydrogen bond donor count of Antibiotic L-681,217 is 6.

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