ChemSpider 2D Image | 27-Amino-26-anilino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl acetate | C43H51N3O11

27-Amino-26-anilino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl acetate

  • Molecular FormulaC43H51N3O11
  • Average mass785.878 Da
  • Monoisotopic mass785.352356 Da
  • ChemSpider ID289869

  • Double-bond stereo - Double-bond stereo

More details:

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

27-Amino-26-anilino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl acetate [ACD/IUPAC Name]
27-Amino-26-anilino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
6H-2,7-(Epoxy[1,11,13]pentadecatrienonitrilo)naphtho[2,1-b]furan-1,6,11(2H)-trione, 21-(acetyloxy)-9-amino-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-(phenylamino)- [ACD/Index Name]
Acétate de 27-amino-26-anilino-2,15,17-trihydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23,29-trioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaén-13 -yle [French] [ACD/IUPAC Name]
66781-07-5 [RN]
ANSAMYCIN R-116

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

NSC301997 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 948.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 527.2±37.1 °C
Index of Refraction: 1.616
Molar Refractivity: 206.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 35.24
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.07
Polar Surface Area: 216 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 590.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement