ChemSpider 2D Image | SCY-635 | C66H120N12O13S

SCY-635

  • Molecular FormulaC66H120N12O13S
  • Average mass1321.797 Da
  • Monoisotopic mass1320.881836 Da
  • ChemSpider ID4980198

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-{[2-(Dimethylamino)ethyl]sulfanyl}-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-24-(2-hydroxy-2-methylpropyl)-6,9,18-triisobutyl-3,21-diisopro pyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-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,27R,30S,33S)-27-{[2-(Dimethylamino)ethyl]sulfanyl}-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-24-(2-hydroxy-2-methylpropyl)-6,9,18-triisobutyl-3,21-diisopro pyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone [ACD/IUPAC Name]
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-{[2-(Diméthylamino)éthyl]sulfanyl}-30-éthyl-33-[(1R,2R,4E)-1-hydroxy-2-méthyl-4-hexén-1-yl]-24-(2-hydroxy-2-méthylpropyl)-6,9,18-triisobutyl-3,21-diisopro pyl-1,4,7,10,12,15,19,25,28-nonaméthyl-1,4,7,10,13,16,19,22,25,28,31-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, 27-[[2-(dimethylamino)ethyl]thio]-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methyl-4-hexen-1-yl]-24-(2-hydr oxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-3,21-bis(1-methylethyl)-6,9,18-tris(2-methylpropyl)-, (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)- [ACD/Index Name]
210759-10-7 [RN]
SCY-635
WSU5343074
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-{[2-(dimethylamino)ethyl]sulfanyl}-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-24-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
[(2R)-2-{[2-(dimethylamino)ethyl]thio}-2-(methylamino)acetyl]3-[4-hydroxy-N2-methyl-L-leucyl]4CsA
CHEMBL1269597
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS189067 [DBID]
AIDS-189067 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1356.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 230.6±6.0 kJ/mol
Flash Point: 774.0±34.3 °C
Index of Refraction: 1.556
Molar Refractivity: 363.1±0.4 cm3
#H bond acceptors: 25
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 328 Å2
Polarizability: 144.0±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 1130.2±5.0 cm3

Click to predict properties on the Chemicalize site


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