ChemSpider 2D Image | (7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-Ethylphenyl)amino]-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta- 1(28),2,4,9,19,21,25-heptaene-6,23,27,29-tetrone | C43H52N2O11

(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-Ethylphenyl)amino]-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta- 1(28),2,4,9,19,21,25-heptaene-6,23,27,29-tetrone

  • Molecular FormulaC43H52N2O11
  • Average mass772.880 Da
  • Monoisotopic mass772.357117 Da
  • ChemSpider ID17469075

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-Ethylphenyl)amino]-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta- 
1(28),2,4,9,19,21,25-heptaen-6,23,27,29-tetron [German] [ACD/IUPAC Name]
(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-Ethylphenyl)amino]-2,13,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta- 
1(28),2,4,9,19,21,25-heptaene-6,23,27,29-tetrone [ACD/IUPAC Name]
(7S,9E,11S,12S,13S,14S,15S,16R,17S,18S,19E,21Z)-26-[(2-Éthylphényl)amino]-2,13,15,17-tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta- 
1(28),2,4,9,19,21,25-heptaène-6,23,27,29-tétrone [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 8-[(2-ethylphenyl)amino]-5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,12Z,14E,16S,17S,18R,1 9S,20S,21S,22S,23S,24E)- [ACD/Index Name]
8-[(2-ethylphenyl)amino]-5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-1,6,9,11-tetrone
956817-45-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1000.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.9±3.0 kJ/mol
Flash Point: 559.0±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 206.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 24.03
ACD/KOC (pH 5.5): 126.03
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.26
Polar Surface Area: 201 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 578.9±5.0 cm3

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