ChemSpider 2D Image | (7S,14E,20Z)-4-(1-Hydroxy-3-oxopentyl)-2,4,18,20-tetramethyl-5,27-dioxa-12-azatricyclo[22.2.1.0~7,12~]heptacosa-14,20-diene-6,13,19-trione | C33H51NO7

(7S,14E,20Z)-4-(1-Hydroxy-3-oxopentyl)-2,4,18,20-tetramethyl-5,27-dioxa-12-azatricyclo[22.2.1.07,12]heptacosa-14,20-diene-6,13,19-trione

  • Molecular FormulaC33H51NO7
  • Average mass573.760 Da
  • Monoisotopic mass573.366577 Da
  • ChemSpider ID29215483

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(7S,14E,20Z)-4-(1-Hydroxy-3-oxopentyl)-2,4,18,20-tetramethyl-5,27-dioxa-12-azatricyclo[22.2.1.07,12]heptacosa-14,20-dien-6,13,19-trion [German] [ACD/IUPAC Name]
(7S,14E,20Z)-4-(1-Hydroxy-3-oxopentyl)-2,4,18,20-tetramethyl-5,27-dioxa-12-azatricyclo[22.2.1.07,12]heptacosa-14,20-diene-6,13,19-trione [ACD/IUPAC Name]
(7S,14E,20Z)-4-(1-Hydroxy-3-oxopentyl)-2,4,18,20-tétraméthyl-5,27-dioxa-12-azatricyclo[22.2.1.07,12]heptacosa-14,20-diène-6,13,19-trione [French] [ACD/IUPAC Name]
6,9-Epoxypyrido[2,1-c][1,4]oxaazacyclodocosine-1,14,20(3H,15H,22H)-trione, 4,5,6,7,8,9,10,11,16,17,23,24,25,25a-tetradecahydro-3-(1-hydroxy-3-oxopentyl)-3,5,13,15-tetramethyl-, (12Z,18E,25aS)- [ACD/Index Name]
nocardiopsin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 772.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 421.1±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 157.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 473.45
ACD/KOC (pH 5.5): 2861.32
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 473.45
ACD/KOC (pH 7.4): 2861.32
Polar Surface Area: 110 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 504.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement