ChemSpider 2D Image | STREPTOVARICIN J | C42H53NO15

STREPTOVARICIN J

  • Molecular FormulaC42H53NO15
  • Average mass811.868 Da
  • Monoisotopic mass811.341492 Da
  • ChemSpider ID34985342

  • 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

(7E,9Z,11R,12R,13S,14R,15S,16R,17S,18R,19R,20E)-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-carboxylate 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, (12E,14Z,16R,17R,18S,19R,20S,21R,22S,23R,24R,25E)- [ACD/Index Name]
Methyl (7E,9Z,11R,12R,13S,14R,15S,16R,17S,18R,19R,20E)-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]hentri aconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate [ACD/IUPAC Name]
Methyl-(7E,9Z,11R,12R,13S,14R,15S,16R,17S,18R,19R,20E)-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]hentri aconta-1,3,7,9,20,22(30),26,29(31)-octaen-15-carboxylat [German] [ACD/IUPAC Name]
STREPTOVARICIN J
1404-74-6 [RN]
52275-61-3 [RN]
Streptovarycin [INN]
UNII:5G937FGU5Y
UNII-5G937FGU5Y
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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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