ChemSpider 2D Image | (1R,10S,12S,14Z,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1~6,9~.0~2,7~]tetracosa-2,5,7,14-tetraen-4-one | C29H42O6

(1R,10S,12S,14Z,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID59700876

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1R,10S,12S,14Z,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-on [German] [ACD/IUPAC Name]
(1R,10S,12S,14Z,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one [ACD/IUPAC Name]
(1R,10S,12S,14Z,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptaméthyl-23,24-dioxatétracyclo[17.3.1.16,9.02,7]tétracosa-2,5,7,14-tétraén-4-one [French] [ACD/IUPAC Name]
(1R,9S,10S,12S,14Z,16R,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-on [German] [ACD/IUPAC Name]
(1R,9S,10S,12S,14Z,16R,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one [ACD/IUPAC Name]
(1R,9S,10S,12S,14Z,16R,19S,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptaméthyl-23,24-dioxatétracyclo[17.3.1.16,9.02,7]tétracosa-2,5,7,14-tétraén-4-one [French] [ACD/IUPAC Name]
1,19:5,9-Diepoxybenzocyclooctadecen-3(5H)-one, 6,7,8,9,10,11,12,15,16,17,18,19-dodecahydro-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-, (5R,6R,7S,8R,9S,12R,13Z,16S,18S,19S)- [ACD/Index Name]
1,19:5,9-Diepoxybenzocyclooctadecen-3(5H)-one, 6,7,8,9,10,11,12,15,16,17,18,19-dodecahydro-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-, (5R,6R,7S,8R,9S,13Z,16S,18S)- [ACD/Index Name]
Kendomycin [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±6.0 kJ/mol
Flash Point: 219.9±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2972.99
ACD/KOC (pH 5.5): 10655.47
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2738.40
ACD/KOC (pH 7.4): 9814.66
Polar Surface Area: 96 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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