ChemSpider 2D Image | (10R,11R,12E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0~3,7~]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone | C28H35N3O7

(10R,11R,12E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone

  • Molecular FormulaC28H35N3O7
  • Average mass525.593 Da
  • Monoisotopic mass525.247498 Da
  • ChemSpider ID21172799

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(10R,11R,12E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaen-2,8,14,23-tetron [German] [ACD/IUPAC Name]
(10R,11R,12E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone [ACD/IUPAC Name]
(10R,11R,12E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-diméthyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaène-2,8,14,23-tétrone [French] [ACD/IUPAC Name]
21411-53-0 [RN]
244-376-6 [EINECS]
3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 8,9,14,15,24,25-hexahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,12E,14S)- [ACD/Index Name]
VIRGINIAMYCIN M1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 825.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 452.9±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.24
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.24
Polar Surface Area: 139 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 414.3±5.0 cm3

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