ChemSpider 2D Image | (2R,4S,5R,6R,8R,11S,12S,19S,20R)-11-(Methoxymethyl)-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-4-{[(2E)-3-(3-pyridinyl)-2-propen-1-yl]oxy}-10,13-dioxa-15,18-diazatricyclo[10.6.2.0~15,20~]icos-1(18)-en-5-y l (2xi)-3,4,6-trideoxy-3-(dimethylamino)-beta-L-threo-hexopyranoside | C40H60N4O10

(2R,4S,5R,6R,8R,11S,12S,19S,20R)-11-(Methoxymethyl)-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-4-{[(2E)-3-(3-pyridinyl)-2-propen-1-yl]oxy}-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-y l (2ξ)-3,4,6-trideoxy-3-(dimethylamino)-β-L-threo-hexopyranoside

  • Molecular FormulaC40H60N4O10
  • Average mass756.925 Da
  • Monoisotopic mass756.430969 Da
  • ChemSpider ID8366177

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2R,4S,5R,6R,8R,11S,12S,19S,20R)-11-(Methoxymethyl)-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-4-{[(2E)-3-(3-pyridinyl)-2-propen-1-yl]oxy}-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-y l (2ξ)-3,4,6-trideoxy-3-(dimethylamino)-β-L-threo-hexopyranoside [ACD/IUPAC Name]
(2R,4S,5R,6R,8R,11S,12S,19S,20R)-11-(Methoxymethyl)-2,4,6,8,12,19-hexamethyl-7,9,14-trioxo-4-{[(2E)-3-(3-pyridinyl)-2-propen-1-yl]oxy}-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-en-5-y l-(2ξ)-3,4,6-tridesoxy-3-(dimethylamino)-β-L-threo-hexopyranosid [German] [ACD/IUPAC Name]
(2ξ)-3,4,6-Tridésoxy-3-(diméthylamino)-β-L-thréo-hexopyranoside de (2R,4S,5R,6R,8R,11S,12S,19S,20R)-11-(méthoxyméthyl)-2,4,6,8,12,19-hexaméthyl-7,9,14-trioxo-4-{[(2E)-3-(3-pyridinyl)-2-propén-1-yl ]oxy}-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icos-1(18)-én-5-yle [French] [ACD/IUPAC Name]
14,1-(Nitriloethano)-2H-oxacyclotetradecino[4,3-d]oxazole-2,6,8(7H,9H)-trione, 3a,4,10,11,12,13,15,15a-octahydro-4-(methoxymethyl)-3a,7,9,11,13,15-hexamethyl-11-[[(2E)-3-(3-pyridinyl)-2-propen-1-yl]ox ;y]-10-[[(2ξ)-3,4,6-trideoxy-3-(dimethylamino)-β-L-threo-hexopyranosyl]oxy]-, (3aS,4S,7R,9R,10R,11S,13R,15S,15aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 889.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 491.9±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 199.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 155.78
ACD/KOC (pH 7.4): 638.88
Polar Surface Area: 159 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 593.1±7.0 cm3

Click to predict properties on the Chemicalize site


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