ChemSpider 2D Image | chloptosin | C68H94Cl2N18O18

chloptosin

  • Molecular FormulaC68H94Cl2N18O18
  • Average mass1522.490 Da
  • Monoisotopic mass1520.637085 Da
  • ChemSpider ID8781903

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

Featured data source
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(4aS,4a'S,10aR,10a'R,13S,13'S,16R,16'R,18aS,18a'S,23bR,23b'R,24aS,24a'S,27R,27'R)-21,21'-Dichlor-23b,23b'-dihydroxy-16,16'-bis[(1S)-1-hydroxyethyl]-27,27'-diisopropyl-13,13'-bis(methoxymethyl)-2,2',3, 3',4,4',4a,4a',8,8',9,9',10,10',10a,10a',12,12',13,13',15,15',16,16',19,19',23b,23b',24,24',24a,24a',26,26',27,27'-hexatriacontahydro-18aH,18a'H-22,22'-bidipyridazino[1'',6'':10',11';1''',6''':7',8'][ 1,4,7,10,13,16]hexaazacyclooctadecino[1',2': [German] [ACD/IUPAC Name]
(4aS,4a'S,10aR,10a'R,13S,13'S,16R,16'R,18aS,18a'S,23bR,23b'R,24aS,24a'S,27R,27'R)-21,21'-Dichloro-23b,23b'-dihydroxy-16,16'-bis[(1S)-1-hydroxyéthyl]-27,27'-diisopropyl-13,13'-bis(méthoxyméthyl)-2,2',3 ,3',4,4',4a,4a',8,8',9,9',10,10',10a,10a',12,12',13,13',15,15',16,16',19,19',23b,23b',24,24',24a,24a',26,26',27,27'-hexatriacontahydro-18aH,18a'H-22,22'-bidipyridazino[1'',6'':10',11';1''',6''':7',8'] [1,4,7,10,13,16]hexaazacyclooctadécino[1',2' [French] [ACD/IUPAC Name]
chloptosin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 377.7±0.4 cm3
#H bond acceptors: 36
#H bond donors: 16
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -10.13
ACD/LogD (pH 5.5): -8.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 468 Å2
Polarizability: 149.7±0.5 10-24cm3
Surface Tension: 90.9±5.0 dyne/cm
Molar Volume: 977.1±5.0 cm3

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