Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.

ChemSpider 2D Image | 2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)butanoic acid | C43H72O11

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)butanoic acid

  • Molecular FormulaC43H72O11
  • Average mass765.025 Da
  • Monoisotopic mass764.507446 Da
  • ChemSpider ID3471627

More details:

Date of deprecation: 13:41, Sep 15, 2016
Reason for deprecation: Deprecate record: no defined stereochemistry

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)butanoic acid [ACD/IUPAC Name]
2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro -2H-pyran-2-yl)butansäure [German] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, α-ethyl-6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4- oxoheptyl]tetrahydro-3,5-dimethyl- [ACD/Index Name]
Acide 2-(6-{6-[2-(5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-triméthyl-1,6,8-trioxadispiro[4.1.5.3]pentadéc-13-én-9-yl]-3-hydroxy-4-méthyl-5-oxo-2-octanyl}-3,5-diméthyltétr ahydro-2H-pyran-2-yl)butanoïque [French] [ACD/IUPAC Name]
2-(6-{6-[2-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)butanoic acid
4-Methylsalinomycin
4-Methylsalinomycin, 9CI
A 28086A
Antibiotic A 28086A
Antibiotic C 7819B
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Lilly 79891 [DBID]
N1271_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 842.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.2±6.0 kJ/mol
Flash Point: 242.3±27.8 °C
Index of Refraction: 1.545
Molar Refractivity: 205.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 1932.42
ACD/KOC (pH 5.5): 3650.11
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 31.05
ACD/KOC (pH 7.4): 58.65
Polar Surface Area: 161 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 650.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement