ChemSpider 2D Image | (3S,4aR,10aS,13S,21R,22S,22aS,25S)-3-Bromo-21,22-dihydroxy-13-(hydroxymethyl)-8,8,13,25-tetramethyl-2,3,4,4a,8,9,10,10a,12,13,22,22a,24,25-tetradecahydro-7H,21H-tripyridazino[1,6-d:1',6'-j:1'',6''-m][ 1,4,7,10,13,16]oxapentaazacyclooctadecine-5,11,14,17,23,26(1H,16H)-hexone | C26H39BrN8O10

(3S,4aR,10aS,13S,21R,22S,22aS,25S)-3-Bromo-21,22-dihydroxy-13-(hydroxymethyl)-8,8,13,25-tetramethyl-2,3,4,4a,8,9,10,10a,12,13,22,22a,24,25-tetradecahydro-7H,21H-tripyridazino[1,6-d:1',6'-j:1'',6''-m][ 1,4,7,10,13,16]oxapentaazacyclooctadecine-5,11,14,17,23,26(1H,16H)-hexone

  • Molecular FormulaC26H39BrN8O10
  • Average mass703.539 Da
  • Monoisotopic mass702.197266 Da
  • ChemSpider ID78439465

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,4aR,10aS,13S,21R,22S,22aS,25S)-3-Brom-21,22-dihydroxy-13-(hydroxymethyl)-8,8,13,25-tetramethyl-2,3,4,4a,8,9,10,10a,12,13,22,22a,24,25-tetradecahydro-7H,21H-tripyridazino[1,6-d:1',6'-j:1'',6''-m][1 ,4,7,10,13,16]oxapentaazacyclooctadecin-5,11,14,17,23,26(1H,16H)-hexon [German] [ACD/IUPAC Name]
(3S,4aR,10aS,13S,21R,22S,22aS,25S)-3-Bromo-21,22-dihydroxy-13-(hydroxymethyl)-8,8,13,25-tetramethyl-2,3,4,4a,8,9,10,10a,12,13,22,22a,24,25-tetradecahydro-7H,21H-tripyridazino[1,6-d:1',6'-j:1'',6''-m][ 1,4,7,10,13,16]oxapentaazacyclooctadecine-5,11,14,17,23,26(1H,16H)-hexone [ACD/IUPAC Name]
(3S,4aR,10aS,13S,21R,22S,22aS,25S)-3-Bromo-21,22-dihydroxy-13-(hydroxyméthyl)-8,8,13,25-tétraméthyl-2,3,4,4a,8,9,10,10a,12,13,22,22a,24,25-tétradécahydro-7H,21H-tripyridazino[1,6-d:1',6'-j:1'',6''-m][ 1,4,7,10,13,16]oxapentaazacyclooctadécine-5,11,14,17,23,26(1H,16H)-hexone [French] [ACD/IUPAC Name]
7H,21H-Tripyridazino[1,6-d:1',6'-j:1'',6''-m][1,4,7,10,13,16]oxapentaazacyclooctadecine-5,11,14,17,23,26(1H,16H)-hexone, 3-bromo-2,3,4,4a,8,9,10,10a,12,13,22,22a,24,25-tetradecahydro-21,22-dihydroxy-1 3-(hydroxymethyl)-8,8,13,25-tetramethyl-, (3S,4aR,10aS,13S,21R,22S,22aS,25S)- [ACD/Index Name]
Svetamycin G

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: -6.88
ACD/LogD (pH 5.5): -6.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 243 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 73.7±7.0 dyne/cm
Molar Volume: 393.8±7.0 cm3

Click to predict properties on the Chemicalize site


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