ChemSpider 2D Image | 9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin | C51H79NO13

9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin

  • Molecular FormulaC51H79NO13
  • Average mass914.172 Da
  • Monoisotopic mass913.555115 Da
  • ChemSpider ID7987310
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 15 defined stereocentres


More details:






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

(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-dioxa-3-aza ;tricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraen-2,9,13,19,35-penton [German] [ACD/IUPAC Name]
(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-dioxa-3-aza ;tricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraene-2,9,13,19,35-pentone [ACD/IUPAC Name]
(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-2-propanyl}-18,29-diméthoxy-14,16,20,22,28,34-hexaméthyl-10,36-dioxa-3-aza ;tricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tétraène-2,9,13,19,35-pentone [French] [ACD/IUPAC Name]
150821-39-9 [RN]
23,28-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,27,29(4H,6H,12H,28H,31H)-pentone, 9,10,13,14,21,22,23,24,25,26,32,33,34,34a-tetradecahydro-9,28-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydr oxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,34aS)- [ACD/Index Name]
9,14-Deepoxy-15-deoxo-14-deoxy-9,15-epoxy-15-hydroxy-14-oxorapamycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 997.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.9±6.0 kJ/mol
Flash Point: 557.3±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 246.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3561.37
ACD/KOC (pH 5.5): 12129.03
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3526.56
ACD/KOC (pH 7.4): 12010.48
Polar Surface Area: 195 Å2
Polarizability: 97.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 773.5±5.0 cm3

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