ChemSpider 2D Image | Narasin | C43H72O11

Narasin

  • Molecular FormulaC43H72O11
  • Average mass765.025 Da
  • Monoisotopic mass764.507446 Da
  • ChemSpider ID58911
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(2R)-2-{(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-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]
(2R)-2-{(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-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]
(2R)-2-{(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-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-oxooctan-2-yl]-3,5-dimethyltetrahydro-2H-pyran-2-yl}butanoic acid
(4S)-4-Methylsalinomycin
2H-Pyran-2-acetic acid, α-ethyl-6-[(1S,2S,3S,5R)-5-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-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-, (αR,2R,3S,5S,6R)- [ACD/Index Name]
2H-pyran-2-acetic acid, α-ethyl-6-[(1S,2S,3S,5R)-5-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-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-, (αR,2R,3S,5S,6R)-
3935
55134-13-9 [RN]
Acide (2R)-2-{(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-{(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-15-hydroxy-2,10,12-triméthyl-1,6,8-trioxadispiro[4.1.5.3]pen tadéc-13-én-9-yl}-3-hydroxy-4-méthyl-5-oxo-2-octanyl]-3,5-diméthyltétrahydro-2H-pyran-2-yl}butanoïque [French] [ACD/IUPAC Name]
Antibiotic A 28086 Factor A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-29798 [DBID]
BRN 1678311 [DBID]
Lilly 79891 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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






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