ChemSpider 2D Image | Nemadectin | C36H52O8

Nemadectin

  • Molecular FormulaC36H52O8
  • Average mass612.793 Da
  • Monoisotopic mass612.366211 Da
  • ChemSpider ID24750875

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

Nemadectin
(1'R,2R,4S,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-4,21',24'-Trihydroxy-5,11',13',22'-tetramethyl-6-[(2E)-4-methyl-2-penten-2-yl]-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetrac ;yclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
102130-84-7 [RN]
1Y8VJ1G3TY
Antibiotic S-541A
F 28249a
LL F-28249a
(2aE,4E,4'S,5'S,6R,6'S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-((E)-1,3-Dimethyl-1-butenyl)-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-4',20,20b-trihydroxy-5',6,8,19-tetramethylspiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-17-one(6R,23S,25S)-5-O-Demethyl-28-deoxy-25-((E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-hydroxymilbemycin B
(6R,23S)-5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-buten-1-yl]-6,28-epoxy-23-hydroxy-milbemycin B
CL 287,088
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6378 [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: 789.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.8±6.0 kJ/mol
Flash Point: 243.8±26.4 °C
Index of Refraction: 1.579
Molar Refractivity: 168.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 39935.61
ACD/KOC (pH 5.5): 68428.43
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 39935.13
ACD/KOC (pH 7.4): 68427.60
Polar Surface Area: 115 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 507.2±5.0 cm3

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