Found 6 results

Search term: MF = 'C_{42}H_{57}NO_{10}'
ChemSpider 2D Image | Methyl [4-(2-{[(1'R,2R,4'S,5S,6R,8'R,12'R,13'S,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20 ,24~]pentacosa[10,14,16,22]tetraen]-12'-yl]oxy}ethyl)phenyl]carbamate | C42H57NO10

Methyl [4-(2-{[(1'R,2R,4'S,5S,6R,8'R,12'R,13'S,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020 ,24]pentacosa[10,14,16,22]tetraen]-12'-yl]oxy}ethyl)phenyl]carbamate

  • Molecular FormulaC42H57NO10
  • Average mass735.903 Da
  • Monoisotopic mass735.398254 Da
  • ChemSpider ID8503089

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

Methyl [4-(2-{[(1'R,2R,4'S,5S,6R,8'R,12'R,13'S,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020 ,24]pentacosa[10,14,16,22]tetraen]-12'-yl]oxy}ethyl)phenyl]carbamate [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 853.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.9±3.0 kJ/mol
Flash Point: 469.9±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 199.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 58639.07
ACD/KOC (pH 5.5): 90084.17
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 58638.75
ACD/KOC (pH 7.4): 90083.68
Polar Surface Area: 142 Å2
Polarizability: 79.1±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 589.5±5.0 cm3

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