ChemSpider 2D Image | Methyl (9Z)-2,12-diacetoxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1~4,29~.0~26,30~]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene- 15-carboxylate | C42H53NO15

Methyl (9Z)-2,12-diacetoxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene- 15-carboxylate

  • Molecular FormulaC42H53NO15
  • Average mass811.868 Da
  • Monoisotopic mass811.341492 Da
  • ChemSpider ID32749382

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-2,12-Diacétoxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octaméthyl-6,28-dioxo-23,25-dioxa-5-azatétracyclo[20.7.1.14,29.026,30]héntriaconta-1,3,7,9,20,22(30),26,29(31)-octaène-15-carb oxylate de méthyle [French] [ACD/IUPAC Name]
6,9-Metheno-9H-1,3-dioxino[4,5,6-uv][4]benzazacyclotricosine-20-carboxylic acid, 7,17-bis(acetyloxy)-5,10,11,16,17,18,19,20,21,22,23,24-dodecahydro-19,21,23,24,27-pentahydroxy-4,8,12,16,18,22,24,26-oc tamethyl-5,11-dioxo-, methyl ester, (14Z)- [ACD/Index Name]
Methyl (9Z)-2,12-diacetoxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene- 
15-carboxylate [ACD/IUPAC Name]
Methyl-(9Z)-2,12-diacetoxy-14,16,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaen-1 
5-carboxylat [German] [ACD/IUPAC Name]
STREPTOVARICIN J
Streptovaricinoic acid, methyl ester, 17-acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 936.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 520.4±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 654.86
ACD/KOC (pH 5.5): 3419.88
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 48.98
ACD/KOC (pH 7.4): 255.80
Polar Surface Area: 245 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 592.6±5.0 cm3

Click to predict properties on the Chemicalize site


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