ChemSpider 2D Image | Voclosporin | C63H111N11O12

Voclosporin

  • Molecular FormulaC63H111N11O12
  • Average mass1214.622 Da
  • Monoisotopic mass1213.841309 Da
  • ChemSpider ID5293683
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres


More details:



Featured data source



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

(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4,6-heptadien-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,2 5,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecon [German] [ACD/IUPAC Name]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4,6-heptadien-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,2 5,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Éthyl-33-[(1R,2R,4E)-1-hydroxy-2-méthyl-4,6-heptadién-1-yl]-6,9,18,24-tétraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonaméthyl-1,4,7,10,13,16,19,22,2 5,28,31-undécaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undécone [French] [ACD/IUPAC Name]
1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4,6-heptadien-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-3,2 1-bis(1-methylethyl)-6,9,18,24-tetrakis(2-methylpropyl)-, (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)- [ACD/Index Name]
515814-01-4 [RN]
Voclosporin [INN] [USAN]
voclosporina [Spanish] [INN]
voclosporine [French] [INN]
voclosporinum [Latin] [INN]
(E)-ISA 247
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ISA247 [DBID]
ISATX247 [DBID]
ISA-247 [DBID]
ISAtx-247 [DBID]
LX-211 [DBID]
R-1524 [DBID]
trans-ISA-247 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 1303.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 220.4±6.0 kJ/mol
Flash Point: 742.3±34.3 °C
Index of Refraction: 1.470
Molar Refractivity: 333.2±0.3 cm3
#H bond acceptors: 23
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.01
ACD/KOC (pH 5.5): 241.78
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.01
ACD/KOC (pH 7.4): 241.78
Polar Surface Area: 279 Å2
Polarizability: 132.1±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 1195.2±3.0 cm3

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