ChemSpider 2D Image | (9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,13,15,17,27,29-Heptahydroxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29),26-oct aene-6,23-dione | C34H43NO11

(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,13,15,17,27,29-Heptahydroxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-oct aene-6,23-dione

  • Molecular FormulaC34H43NO11
  • Average mass641.705 Da
  • Monoisotopic mass641.283630 Da
  • ChemSpider ID30791006

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,13,15,17,27,29-Heptahydroxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-oct aen-6,23-dion [German] [ACD/IUPAC Name]
(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,13,15,17,27,29-Heptahydroxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-oct aene-6,23-dione [ACD/IUPAC Name]
(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,13,15,17,27,29-Heptahydroxy-3,7,12,14,16,18,22-heptaméthyl-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-oct aène-6,23-dione [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21,23-heptahydroxy-2,4,12,16,18,20,22-heptamethyl-, (12Z,14E,16S,17S,18R,19R,20R,21R,22R,23S,24E)- [ACD/Index Name]
Demethyl-desacetyl-rifamycin SV

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

Density: 1.3±0.1 g/cm3
Boiling Point: 955.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 531.4±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 35.62
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 495.8±3.0 cm3

Click to predict properties on the Chemicalize site


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