ChemSpider 2D Image | streptorubin A | C25H33N3O

streptorubin A

  • Molecular FormulaC25H33N3O
  • Average mass391.549 Da
  • Monoisotopic mass391.262360 Da
  • ChemSpider ID25991423

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Ethyl-13-[(Z)-(4'-methoxy-1H,5'H-2,2'-bipyrrol-5'-yliden)methyl]-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-dien [German] [ACD/IUPAC Name]
(2R)-2-Ethyl-13-[(Z)-(4'-methoxy-1H,5'H-2,2'-bipyrrol-5'-ylidene)methyl]-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene [ACD/IUPAC Name]
(2R)-2-Éthyl-13-[(Z)-(4'-méthoxy-1H,5'H-2,2'-bipyrrol-5'-ylidène)méthyl]-12-azabicyclo[9.2.1]tétradéca-1(13),11(14)-diène [French] [ACD/IUPAC Name]
12-Azabicyclo[9.2.1]tetradeca-11(14),13-diene, 2-ethyl-13-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-, (2R)- [ACD/Index Name]
Metacycloprodigiosin
streptorubin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 326.5±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 986.88
ACD/KOC (pH 5.5): 1659.65
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 22235.96
ACD/KOC (pH 7.4): 37394.63
Polar Surface Area: 53 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 339.6±7.0 cm3

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