ChemSpider 2D Image | (1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-19-methoxy-15,17,21,23,29,35-hexamethyl-30-[(~2~H_3_)methyl oxy]-11,36-dioxa-4-azatricyclo[30.3.1.0~4,9~]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone | C51H76D3NO13

(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-19-methoxy-15,17,21,23,29,35-hexamethyl-30-[(2H3)methyl oxy]-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

  • Molecular FormulaC51H76D3NO13
  • Average mass917.190 Da
  • Monoisotopic mass916.573975 Da
  • ChemSpider ID48063493

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-19-methoxy-15,17,21,23,29,35-hexamethyl-30-[(2H3)methyl oxy]-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-2,3,10,14,20-penton [German] [ACD/IUPAC Name]
(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-19-methoxy-15,17,21,23,29,35-hexamethyl-30-[(2H3)methyl oxy]-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone [ACD/IUPAC Name]
(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-Dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-2-propanyl}-19-méthoxy-15,17,21,23,29,35-hexaméthyl-30-[(2H3)méthyl oxy]-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tétraène-2,3,10,14,20-pentone [French] [ACD/IUPAC Name]
23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone, 9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy ;-3-methoxycyclohexyl]-1-methylethyl]-10-methoxy-6,8,12,14,20,26-hexamethyl-21-(methyl-d3-oxy)-, (3S,6R,7Z,9R,10R,12R,14S,15Z,17Z,19Z,21S,23S,26R,27R,34aS)- [ACD/Index Name]
392711-19-2 [RN]
SiroliMus-D3/ RapaMycin-D3

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 973.0±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 160.7±6.0 kJ/mol
    Flash Point: 542.3±37.1 °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: 3.54
    ACD/LogD (pH 5.5): 4.21
    ACD/BCF (pH 5.5): 939.11
    ACD/KOC (pH 5.5): 4671.63
    ACD/LogD (pH 7.4): 4.21
    ACD/BCF (pH 7.4): 938.17
    ACD/KOC (pH 7.4): 4666.98
    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

    Click to predict properties on the Chemicalize site


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