ChemSpider 2D Image | (6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17-Pentahydroxy-3,7,12,14,16,18,26-heptamethyl-23,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,2 1,25-heptaen-13-yl acetate | C36H45NO12

(6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17-Pentahydroxy-3,7,12,14,16,18,26-heptamethyl-23,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,2 1,25-heptaen-13-yl acetate

  • Molecular FormulaC36H45NO12
  • Average mass683.742 Da
  • Monoisotopic mass683.294189 Da
  • ChemSpider ID26633322

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17-Pentahydroxy-3,7,12,14,16,18,26-heptamethyl-23,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,2 1,25-heptaen-13-yl acetate [ACD/IUPAC Name]
(6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17-Pentahydroxy-3,7,12,14,16,18,26-heptamethyl-23,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,2 1,25-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-6,9,11-trione, 21-(acetyloxy)-1,2-dihydro-1,5,17,19,23-pentahydroxy-2,4,8,16,18,20,22-heptamethyl-, (1S,2R,12Z,14E,16S,17S,18R,19R,20R,21R,2 2R,23S,24E)- [ACD/Index Name]
Acétate de (6S,7R,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,6,11,15,17-pentahydroxy-3,7,12,14,16,18,26-heptaméthyl-23,27,29-trioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28)
 ,2,4,9,19,21,25-heptaén-13-yle [French] [ACD/IUPAC Name]
Chaxamycin D, rel-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 908.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 175.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.61
ACD/KOC (pH 5.5): 220.32
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 30.26
Polar Surface Area: 209 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 496.2±5.0 cm3

Click to predict properties on the Chemicalize site


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