ChemSpider 2D Image | (6R,9S,12S,15R,18S,21S,24S,27S)-3-[(1S,2S,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-9,12,21,27-tetraisobutyl-6,24-diisopropyl-4,7,10,13,15,18,22,28,31-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacycl opentatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone | C62H111N11O12

(6R,9S,12S,15R,18S,21S,24S,27S)-3-[(1S,2S,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-9,12,21,27-tetraisobutyl-6,24-diisopropyl-4,7,10,13,15,18,22,28,31-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacycl opentatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

  • Molecular FormulaC62H111N11O12
  • Average mass1202.611 Da
  • Monoisotopic mass1201.841309 Da
  • ChemSpider ID60498509

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(6R,9S,12S,15R,18S,21S,24S,27S)-3-[(1S,2S,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-9,12,21,27-tetraisobutyl-6,24-diisopropyl-4,7,10,13,15,18,22,28,31-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacycl opentatriacontan-2,5,8,11,14,17,20,23,26,29,32-undecon [German] [ACD/IUPAC Name]
(6R,9S,12S,15R,18S,21S,24S,27S)-3-[(1S,2S,4E)-1-Hydroxy-2-methyl-4-hexen-1-yl]-9,12,21,27-tetraisobutyl-6,24-diisopropyl-4,7,10,13,15,18,22,28,31-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacycl opentatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
(6R,9S,12S,15R,18S,21S,24S,27S)-3-[(1S,2S,4E)-1-Hydroxy-2-méthyl-4-hexén-1-yl]-9,12,21,27-tétraisobutyl-6,24-diisopropyl-4,7,10,13,15,18,22,28,31-nonaméthyl-1,4,7,10,13,16,19,22,25,28,31-undécaazacycl opentatriacontane-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-Undecaazacyclopentatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone, 3-[(1S,2S,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-4,7,10,13,15,18,22,28,31-nonamethyl-6,24-bis(1-methy lethyl)-9,12,21,27-tetrakis(2-methylpropyl)-, (6R,9S,12S,15R,18S,21S,24S,27S)- [ACD/Index Name]
83602-39-5 [RN]
Cyclosporin H

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1299.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 219.6±6.0 kJ/mol
Flash Point: 739.6±34.3 °C
Index of Refraction: 1.468
Molar Refractivity: 328.7±0.3 cm3
#H bond acceptors: 23
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.52
ACD/KOC (pH 5.5): 187.44
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.52
ACD/KOC (pH 7.4): 187.44
Polar Surface Area: 279 Å2
Polarizability: 130.3±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 1181.5±3.0 cm3

Click to predict properties on the Chemicalize site


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