ChemSpider 2D Image | Methyl (7E,9Z,11R,13R,14R,15R,16R,17R,18S,19S,20E)-2-acetoxy-12,14,16,18,31-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 | C40H51NO13

Methyl (7E,9Z,11R,13R,14R,15R,16R,17R,18S,19S,20E)-2-acetoxy-12,14,16,18,31-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 FormulaC40H51NO13
  • Average mass753.832 Da
  • Monoisotopic mass753.336060 Da
  • ChemSpider ID21270079

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(7E,9Z,11R,13R,14R,15R,16R,17R,18S,19S,20E)-2-Acétoxy-12,14,16,18,31-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-1,3,7,9,2 0,22(30),26,29(31)-octaène-15-carboxylate de méthyle [French] [ACD/IUPAC Name]
9,6-Metheno-6H-1,3-dioxino[4,5,6-uv][4]benzazacyclotricosine-20-carboxylic acid, 7-(acetyloxy)-5,10,11,16,17,18,19,20,21,22,23,24-dodecahydro-17,19,21,23,27-pentahydroxy-4,8,12,16,18,22,24,26-octameth yl-5,11-dioxo-, methyl ester, (12E,14Z,16R,18R,19R,20R,21R,22R,23S,24S,25E)- [ACD/Index Name]
Methyl (7E,9Z,11R,13R,14R,15R,16R,17R,18S,19S,20E)-2-acetoxy-12,14,16,18,31-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-(7E,9Z,11R,13R,14R,15R,16R,17R,18S,19S,20E)-2-acetoxy-12,14,16,18,31-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-15-carboxylat [German] [ACD/IUPAC Name]
Methyl 24-deoxystreptovaricinoate
Streptovaricin complex, fraction d
Streptovaricin D
Streptovaricin-D
Streptovaricinoic acid, 24-deoxy-, methyl ester

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

NSC 156216 [DBID]
NSC 189796 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 931.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.0±3.0 kJ/mol
Flash Point: 517.2±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 194.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 447.63
ACD/KOC (pH 5.5): 2624.71
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 38.38
ACD/KOC (pH 7.4): 225.06
Polar Surface Area: 218 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 558.4±5.0 cm3

Click to predict properties on the Chemicalize site


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