ChemSpider 2D Image | (1R,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-aza tricyclo[29.3.1.0~4,8~]pentatriaconta-15,23,25,27-tetraene-2,3,9,13,19-pentone | C50H77NO13

(1R,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-aza tricyclo[29.3.1.04,8]pentatriaconta-15,23,25,27-tetraene-2,3,9,13,19-pentone

  • Molecular FormulaC50H77NO13
  • Average mass900.145 Da
  • Monoisotopic mass899.539490 Da
  • ChemSpider ID8548963

  • 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

(1R,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-aza ;tricyclo[29.3.1.04,8]pentatriaconta-15,23,25,27-tetraen-2,3,9,13,19-penton [German] [ACD/IUPAC Name]
(1R,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,4R)-4-hydroxy-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-aza ;tricyclo[29.3.1.04,8]pentatriaconta-15,23,25,27-tetraene-2,3,9,13,19-pentone [ACD/IUPAC Name]
(1R,8S,11S,14R,15Z,17R,18R,20R,22S,23Z,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,4R)-4-hydroxy-3-méthoxycyclohexyl]-2-propanyl}-18,29-diméthoxy-14,16,20,22,28,34-hexaméthyl-10,35-dioxa-4-aza ;tricyclo[29.3.1.04,8]pentatriaconta-15,23,25,27-tétraène-2,3,9,13,19-pentone [French] [ACD/IUPAC Name]
23,27-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(4H,6H)-pentone, 9,10,12,13,14,21,22,23,24,25,26,27,31,32,33,33a-hexadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,4R)-4-hydroxy-3- methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, (3S,6R,7Z,9R,10R,12R,14S,15Z,17E,19E,21S,23S,26R,27R,33aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 965.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.5±6.0 kJ/mol
Flash Point: 537.8±37.1 °C
Index of Refraction: 1.552
Molar Refractivity: 242.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 561.69
ACD/KOC (pH 5.5): 3233.63
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 560.96
ACD/KOC (pH 7.4): 3229.42
Polar Surface Area: 195 Å2
Polarizability: 96.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 757.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement