ChemSpider 2D Image | Methyl (7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29) ,2,4,9,19,21,25,27-octaene-13-carboxylate | C37H47NO12

Methyl (7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29) ,2,4,9,19,21,25,27-octaene-13-carboxylate

  • Molecular FormulaC37H47NO12
  • Average mass697.769 Da
  • Monoisotopic mass697.309814 Da
  • ChemSpider ID17340841

  • 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

(7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9, 19,21,25,27-octaène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-21-carboxylic acid, 1,2-dihydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, methyl ester, (2S,12Z,14E,16 R,17R,18R,19R,20R,21R,22R,23R,24E)- [ACD/Index Name]
Methyl (7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29)
 ,2,4,9,19,21,25,27-octaene-13-carboxylate [ACD/IUPAC Name]
Methyl-(7S,9E,11R,12R,13R,14R,15R,16R,17R,18R,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29)
 ,2,4,9,19,21,25,27-octaen-13-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 866.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 478.1±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 183.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 27.48
ACD/KOC (pH 5.5): 262.33
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 201 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 514.2±5.0 cm3

Click to predict properties on the Chemicalize site


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