ChemSpider 2D Image | Methyl (5S)-14-acetamido-23-hydroxy-8,8,11,11-tetramethyl-2,7,10,13-tetraoxo-3,15-dioxa-6,9,12-triazatetracyclo[14.10.2.0~17,22~.0~24,28~]octacosa-1(27),16(28),17,19,21,23,25-heptaene-5-carboxylate | C31H34N4O10

Methyl (5S)-14-acetamido-23-hydroxy-8,8,11,11-tetramethyl-2,7,10,13-tetraoxo-3,15-dioxa-6,9,12-triazatetracyclo[14.10.2.017,22.024,28]octacosa-1(27),16(28),17,19,21,23,25-heptaene-5-carboxylate

  • Molecular FormulaC31H34N4O10
  • Average mass622.622 Da
  • Monoisotopic mass622.227478 Da
  • ChemSpider ID8230220

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-14-Acétamido-23-hydroxy-8,8,11,11-tétraméthyl-2,7,10,13-tétraoxo-3,15-dioxa-6,9,12-triazatétracyclo[14.10.2.017,22.024,28]octacosa-1(27),16(28),17,19,21,23,25-heptaène-5-carboxylate de méthyl 
e [French] [ACD/IUPAC Name]
15,17-Etheno-2H,14H-naphtho[1,2-n]-1,13,4,7,10-dioxatriazacyclooctadecine-11-carboxylic acid, 2-(acetylamino)-3,4,5,6,7,8,9,10,11,12-decahydro-18-hydroxy-5,5,8,8-tetramethyl-3,6,9,14-tetraoxo-, methyl ester, (11S)- [ACD/Index Name]
Methyl (5S)-14-acetamido-23-hydroxy-8,8,11,11-tetramethyl-2,7,10,13-tetraoxo-3,15-dioxa-6,9,12-triazatetracyclo[14.10.2.017,22.024,28]octacosa-1(27),16(28),17,19,21,23,25-heptaene-5-carboxylate [ACD/IUPAC Name]
Methyl-(5S)-14-acetamido-23-hydroxy-8,8,11,11-tetramethyl-2,7,10,13-tetraoxo-3,15-dioxa-6,9,12-triazatetracyclo[14.10.2.017,22.024,28]octacosa-1(27),16(28),17,19,21,23,25-heptaen-5-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: 1049.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.9±3.0 kJ/mol
Flash Point: 588.4±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 90.59
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.80
ACD/KOC (pH 7.4): 90.25
Polar Surface Area: 198 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

Click to predict properties on the Chemicalize site


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