ChemSpider 2D Image | (7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E)-2,13,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29),2,4,9,19 ,21,25,27-octaene-26-carbaldehyde | C36H45NO12

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

  • Molecular FormulaC36H45NO12
  • Average mass683.742 Da
  • Monoisotopic mass683.294189 Da
  • ChemSpider ID31046425

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E)-2,13,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19 ,21,25,27-octaen-26-carbaldehyd [German] [ACD/IUPAC Name]
(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E)-2,13,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19 ,21,25,27-octaene-26-carbaldehyde [ACD/IUPAC Name]
(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E)-2,13,15,17,27,29-Hexahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19 ,21,25,27-octaène-26-carbaldéhyde [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, (2S,14E,16S,17S,18R,19R,20R, 21S,22S,23S,24E)- [ACD/Index Name]
(7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,13,15,17,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-26-carbaldehyde
16783-97-4 [RN]
3-Formyl-25-desacetyl Rifamycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 861.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 474.9±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 178.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 22.17
ACD/KOC (pH 5.5): 178.79
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 212 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 489.2±5.0 cm3

Click to predict properties on the Chemicalize site


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