ChemSpider 2D Image | N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl}-N~2~-formyl-L-s erinamide | C41H60N2O7

N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl}-N2-formyl-L-s erinamide

  • Molecular FormulaC41H60N2O7
  • Average mass692.924 Da
  • Monoisotopic mass692.440063 Da
  • ChemSpider ID4947387

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl}-N2-formyl-L-s 
erinamid [German] [ACD/IUPAC Name]
N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-Dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl}-N2-formyl-L-s 
erinamide [ACD/IUPAC Name]
N-{(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-Diméthoxy-3,12,18,21,23-pentaméthyl-24-oxooxacyclotétracosa-4,6,11,13,17,19,22-heptaén-2-yl]-2-méthyl-2,4-hexadién-1-yl}-N2-formyl-L-s 
érinamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2E,4E)-5-[(2S,3S,4E,6E,8S,11Z,13E,16S,17Z,19Z,21R,22Z)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxooxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-2,4-hexadien-1-yl]-2- (formylamino)-3-hydroxy-, (2S)- [ACD/Index Name]
117582-92-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 882.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.7±6.0 kJ/mol
Flash Point: 487.6±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 202.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 59960.72
ACD/KOC (pH 5.5): 91533.14
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 59960.66
ACD/KOC (pH 7.4): 91533.04
Polar Surface Area: 123 Å2
Polarizability: 80.2±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 640.4±5.0 cm3

Click to predict properties on the Chemicalize site


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