ChemSpider 2D Image | (-)-Archazolid A | C42H62N2O7S

(-)-Archazolid A

  • Molecular FormulaC42H62N2O7S
  • Average mass739.016 Da
  • Monoisotopic mass738.427795 Da
  • ChemSpider ID17613216

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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(-)-Archazolid A
(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-Dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxooxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-me thylbutyl methylcarbamate [ACD/IUPAC Name]
(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-Dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxooxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-me thylbutyl-methylcarbamat [German] [ACD/IUPAC Name]
(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxooxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate
archazolid A
Méthylcarbamate de (1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-méthoxy-3,7,9,13,15,17,20,23-octaméthyl-24-oxooxacyclotétracosa-4,6,11,13,15,19,22-heptaén-2-yl]-1,3 -thiazol-2-yl}-3-méthylbutyle [French] [ACD/IUPAC Name]
Oxacyclotetracosa-3,6,10,12,14,19,21-heptaen-2-one, 8,16-dihydroxy-18-methoxy-3,6,9,11,13,17,19,23-octamethyl-24-[2-[(1S)-3-methyl-1-[[(methylamino)carbonyl]oxy]butyl]-4-thiazolyl]-, (3E,6E,8S,9S,10Z, 12Z,14E,16R,17S,18S,19E,21E,23S,24S)- [ACD/Index Name]
oxacyclotetracosa-3,6,10,12,14,19,21-heptaen-2-one, 8,16-dihydroxy-18-methoxy-3,6,9,11,13,17,19,23-octamethyl-24-[2-[(1S)-3-methyl-1-[[(methylamino)carbonyl]oxy]butyl]-4-thiazolyl]-, (3E,6E,8S,9S,10Z,12Z,14E,16R,17S,18S,19E,21E,23S,24S)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 837.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.2±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 211.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 8.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 876071.81
ACD/LogD (pH 7.4): 8.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 876076.56
Polar Surface Area: 155 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 657.2±5.0 cm3

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