Found 33 results

Search term: MF = 'C_{33}H_{39}NO_{10}'
ChemSpider 2D Image | 3-[(2S,4S)-2-{[4-(Hydroxymethyl)benzyl]oxy}-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-4-yl]-4H-chromen-4-one | C33H39NO10

3-[(2S,4S)-2-{[4-(Hydroxymethyl)benzyl]oxy}-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-4-yl]-4H-chromen-4-one

  • Molecular FormulaC33H39NO10
  • Average mass609.664 Da
  • Monoisotopic mass609.257385 Da
  • ChemSpider ID5100456

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(2S,4S)-2-{[4-(Hydroxymethyl)benzyl]oxy}-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-4-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[(2S,4S)-2-{[4-(Hydroxymethyl)benzyl]oxy}-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-4-yl]-4H-chromen-4-one [ACD/IUPAC Name]
3-[(2S,4S)-2-{[4-(Hydroxyméthyl)benzyl]oxy}-6-(1,4,7,10-tétraoxa-13-azacyclopentadécan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-4-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2S,4S)-3,4-dihydro-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylcarbonyl)-2H-pyran-4-yl]- [ACD/Index Name]
DDS2_005576
DDS2_005628
DHPC1.3_005148
DHPC1.3_005200

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

DHPC1_001856 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 824.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.2±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 66.80
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 66.80
Polar Surface Area: 122 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 460.3±5.0 cm3

Click to predict properties on the Chemicalize site


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