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Search term: 25053851 (Found by CSID)
ChemSpider 2D Image | pateamine | C31H45N3O4S

pateamine

  • Molecular FormulaC31H45N3O4S
  • Average mass555.772 Da
  • Monoisotopic mass555.313049 Da
  • ChemSpider ID25053851

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,6Z,8E,11S,15R,17S)-15-Amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethyl-1,3,5-heptatrien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraene-5,13-dione
(3S,6Z,8E,11S,15R,17S)-15-Amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethyl-1,3,5-heptatrien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraen-5,13-dion [German] [ACD/IUPAC Name]
(3S,6Z,8E,11S,15R,17S)-15-Amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethyl-1,3,5-heptatrien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione [ACD/IUPAC Name]
(3S,6Z,8E,11S,15R,17S)-15-Amino-3-[(1E,3E,5E)-7-(diméthylamino)-2,5-diméthyl-1,3,5-heptatrién-1-yl]-9,11,17-triméthyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]hénicosa-1(21),6,8,18-tétraène-5,13-dione [French] [ACD/IUPAC Name]
139220-18-1 [RN]
4,12-Dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraene-5,13-dione, 15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethyl-1,3,5-heptatrien-1-yl]-9,11,17-trimethyl-, (3S,6Z,8E,11S,15R,1 7S)- [ACD/Index Name]
pateamine
(-)-pateamine
(3S,6Z,8E,11S,15R,17S)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
PATEAMINE A
  • Miscellaneous

    • Chemical Class:

      A marine macrodiolide that is isolated from the sponge Mycale hentscheli and exhibits anticancer and antiviral properties ChEBI CHEBI:134184
      A marine macrolide that is isolated from the sponge <ital>Mycale hentscheli</ital> and exhibits anticancer and antiviral properties ChEBI CHEBI:134184

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

Density: 1.1±0.1 g/cm3
Boiling Point: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 5.18
ACD/KOC (pH 7.4): 21.98
Polar Surface Area: 123 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 521.1±3.0 cm3

Click to predict properties on the Chemicalize site


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