ChemSpider 2D Image | TAN 420E | C30H44N2O9

TAN 420E

  • Molecular FormulaC30H44N2O9
  • Average mass576.678 Da
  • Monoisotopic mass576.304688 Da
  • ChemSpider ID23327406

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(15R)-18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-11-O-methylgeldanamycin
(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-20,22-Dihydroxy-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate [ACD/IUPAC Name]
(4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-20,22-Dihydroxy-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-ylcarbamat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-3-one, 9-[(aminocarbonyl)oxy]-20,22-dihydroxy-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-, (4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)- [ACD/Index Name]
91700-93-5 [RN]
Carbamate de (4E,6Z,8S,9S,10E,12S,13R,14S,16S,17R)-20,22-dihydroxy-8,13,14,17-tétraméthoxy-4,10,12,16-tétraméthyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaén-9-yle [French] [ACD/IUPAC Name]
TAN 420E
Antibiotic TAN 420E
dihydroherbimycin a
dihydro-herbimycin A
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 714.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.81
ACD/KOC (pH 5.5): 828.51
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.46
ACD/KOC (pH 7.4): 825.07
Polar Surface Area: 159 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 473.8±5.0 cm3

Click to predict properties on the Chemicalize site


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