ChemSpider 2D Image | (1'S,2R,3'S,6R,7'S,8'E,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'E,26'S,30'R)-17'-{[(2S,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxyb utyl]-5',5',15',19',21',30'-hexamethyl-3,4,5,6-tetrahydro-24'H-spiro[pyran-2,28'-[4,25,29]trioxatricyclo[24.3.1.0~3,7~]triaconta[8,22]dien]-24'-one | C49H85NO14

(1'S,2R,3'S,6R,7'S,8'E,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'E,26'S,30'R)-17'-{[(2S,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxyb utyl]-5',5',15',19',21',30'-hexamethyl-3,4,5,6-tetrahydro-24'H-spiro[pyran-2,28'-[4,25,29]trioxatricyclo[24.3.1.03,7]triaconta[8,22]dien]-24'-one

  • Molecular FormulaC49H85NO14
  • Average mass912.198 Da
  • Monoisotopic mass911.596985 Da
  • ChemSpider ID8923652

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1'S,2R,3'S,6R,7'S,8'E,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'E,26'S,30'R)-17'-{[(2S,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxyb ;utyl]-5',5',15',19',21',30'-hexamethyl-3,4,5,6-tetrahydro-24'H-spiro[pyran-2,28'-[4,25,29]trioxatricyclo[24.3.1.03,7]triaconta[8,22]dien]-24'-one [ACD/IUPAC Name]
(3aS,4E,6'R,11R,12R,13S,14R,15R,16S,17R,18E,22S,24R,26S,27aS,28R)-13-{[(2S,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-11,12,14,16,17,27a-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-2,2,11
(3aS,4E,6'R,11R,12R,13S,14R,15R,16S,17R,18E,22S,24R,26S,27aS,28R)-13-{[(2S,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-11,12,14,16,17,27a-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-2,2,11,15,17,28-hexamethyl-2,3,3',3a,4',5',6,6',7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-20H-spiro[22,26-methanofuro[2,3-h][1,5]dioxacyclohexacosine-24,2'-pyran]-20-one
,15,17,28-hexamethyl-2,3,3',3a,4',5',6,6',7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-20H-spiro[22,26-methanofuro[2,3-h][1,5]dioxacyclohexacosine-24,2'-pyran]-20-one
11015-84-2 [RN]
Ossamycin
  • Miscellaneous

    • Chemical Class:

      A macrolide antibiotic that was originally isolated from the culture broths of <ital>Streptomyces hygroscopicus</ital> var. <ital>ossamyceticus</ital>. ChEBI CHEBI:77735
      A macrolide antibiotic that was originally isolated from the culture broths of Streptomyces hygroscopicus var. ossamyceticus. ChEBI CHEBI:77735

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

Density: 1.2±0.1 g/cm3
Boiling Point: 959.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.5±6.0 kJ/mol
Flash Point: 534.2±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 243.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 13.07
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 121.92
ACD/KOC (pH 7.4): 476.09
Polar Surface Area: 217 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 745.7±5.0 cm3

Click to predict properties on the Chemicalize site


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