ChemSpider 2D Image | (−)-Virginiamycin M2 | C28H37N3O7

(−)-Virginiamycin M2

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID26286921

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(−)-Virginiamycin M2
(7R,10R,11R,12E,17E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaen-2,8,14,23-tetron [German] [ACD/IUPAC Name]
(7R,10R,11R,12E,17E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-dimethyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone [ACD/IUPAC Name]
(7R,10R,11R,12E,17E,19E,21S)-21-Hydroxy-10-isopropyl-11,19-diméthyl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaène-2,8,14,23-tétrone [French] [ACD/IUPAC Name]
18UAN5144E
21102-49-8 [RN]
3H-21,18-Nitrilo-1H,22H-pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 8,9,14,15,24,25,26,26a-octahydro-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-, (3R,4R,5E,10E,12E,14 S,26aR)- [ACD/Index Name]
Virginiamycin M2
()-virginiamycin M2
UNII:18UAN5144E

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

7497 [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: 809.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.3±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.90
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 35.56
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.56
Polar Surface Area: 139 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 421.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement