ChemSpider 2D Image | (9E,19E,21Z)-15,17,27,29-Tetrahydroxy-11-methoxy-2,3,7,12,14,16,18,22-octamethyl-6,23-dioxo-8,30-dioxatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl nitrate | C37H47NO12

(9E,19E,21Z)-15,17,27,29-Tetrahydroxy-11-methoxy-2,3,7,12,14,16,18,22-octamethyl-6,23-dioxo-8,30-dioxatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl nitrate

  • Molecular FormulaC37H47NO12
  • Average mass697.769 Da
  • Monoisotopic mass697.309814 Da
  • ChemSpider ID4520085

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E,19E,21Z)-15,17,27,29-Tetrahydroxy-11-methoxy-2,3,7,12,14,16,18,22-octamethyl-6,23-dioxo-8,30-dioxatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl nitrate [ACD/IUPAC Name]
(9E,19E,21Z)-15,17,27,29-Tetrahydroxy-11-methoxy-2,3,7,12,14,16,18,22-octamethyl-6,23-dioxo-8,30-dioxatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-ylnitrat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]hexadecatrieno)naphtho[2,1-b]furan-1,11(2H)-dione, 6,9,17,19-tetrahydroxy-23-methoxy-2,4,5,12,16,18,20,22-octamethyl-21-(nitrooxy)-, (12Z,14E,24E)- [ACD/Index Name]
Nitrate de (9E,19E,21Z)-15,17,27,29-tétrahydroxy-11-méthoxy-2,3,7,12,14,16,18,22-octaméthyl-6,23-dioxo-8,30-dioxatétracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaén-13-yle [French] [ACD/IUPAC Name]
Rifamycin [USAN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 890.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 492.3±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 183.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 802.35
ACD/KOC (pH 5.5): 4173.67
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 789.30
ACD/KOC (pH 7.4): 4105.79
Polar Surface Area: 198 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 524.1±5.0 cm3

Click to predict properties on the Chemicalize site


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