ChemSpider 2D Image | (7S,11S,12R,13S,14R,15R,16R,17S,18S,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29),2,4,9,19,21,23,2 5,27-nonaen-13-yl acetate | C37H47NO12

(7S,11S,12R,13S,14R,15R,16R,17S,18S,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,23,2 5,27-nonaen-13-yl acetate

  • Molecular FormulaC37H47NO12
  • Average mass697.769 Da
  • Monoisotopic mass697.309814 Da
  • ChemSpider ID34980941

  • 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

(7S,11S,12R,13S,14R,15R,16R,17S,18S,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,23,2 5,27-nonaen-13-yl acetate [ACD/IUPAC Name]
(7S,11S,12R,13S,14R,15R,16R,17S,18S,23E)-2,15,17,23,27,29-Hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,23,2 5,27-nonaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrien[1]yl[15]ylidenenitrilo)naphtho[2,1-b]furan-1(2H)-one, 21-(acetyloxy)-5,6,9,11,17,19-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,10E,16S,17S,18R,19R,20 R,21S,22R,23S)- [ACD/Index Name]
Acétate de (7S,11S,12R,13S,14R,15R,16R,17S,18S,23E)-2,15,17,23,27,29-hexahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6-oxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9 ,19,21,23,25,27-nonaén-13-yle [French] [ACD/IUPAC Name]
(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-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-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate
Rifamycin [USAN] [Wiki]
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: 851.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 468.8±37.1 °C
Index of Refraction: 1.598
Molar Refractivity: 177.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 23.71
ACD/KOC (pH 5.5): 202.86
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 519.0±7.0 cm3

Click to predict properties on the Chemicalize site


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