ChemSpider 2D Image | (6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0~1,11~.0~3,7~.0~7,11~.0~13,17~]nonadec-9-yl 4-morpholinecarboxy late | C32H37NO13

(6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-9-yl 4-morpholinecarboxy late

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID9483191

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

(6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-9-yl 4-morpholinecarboxy late [ACD/IUPAC Name]
(6R,8S,9R,12R,16S,17R)-6-(Benzyloxy)-12,17-dihydroxy-16-methyl-8-(2-methyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadec-9-yl-4-morpholincarboxyl at [German] [ACD/IUPAC Name]
4-Morpholinecarboxylate de (6R,8S,9R,12R,16S,17R)-6-(benzyloxy)-12,17-dihydroxy-16-méthyl-8-(2-méthyl-2-propanyl)-5,15,18-trioxo-2,4,14,19-tétraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonad éc-9-yle [French] [ACD/IUPAC Name]
4-Morpholinecarboxylic acid, (1R,4bR,5S,8R,10R,11S)-11-(1,1-dimethylethyl)octahydro-4b,8-dihydroxy-5-methyl-2,6,13-trioxo-1-(phenylmethoxy)-6H-9,4a-(epoxymethano)-3aH,9H-cyclopenta[c]furo[2,3-b]furo[3 ',2':3,4]cyclopenta[1,2-d]furan-10-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 889.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.5±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.12
ACD/KOC (pH 5.5): 195.16
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 7.4): 195.06
Polar Surface Area: 177 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 418.1±5.0 cm3

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