Found 322 results

Search term: MF = 'C_{25}H_{37}N_{3}O_{7}'
ChemSpider 2D Image | 1-[(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-3,4,6,7,8,9,11,12,13,14-decahydro-1,10,5-benzodioxazacyclohexadecin-5(2H)-yl]-3-(1H-imidazol-1-yl)-1-propanone | C25H37N3O7

1-[(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-3,4,6,7,8,9,11,12,13,14-decahydro-1,10,5-benzodioxazacyclohexadecin-5(2H)-yl]-3-(1H-imidazol-1-yl)-1-propanone

  • Molecular FormulaC25H37N3O7
  • Average mass491.577 Da
  • Monoisotopic mass491.263153 Da
  • ChemSpider ID80831768

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-3,4,6,7,8,9,11,12,13,14-decahydro-1,10,5-benzodioxazacyclohexadecin-5(2H)-yl]-3-(1H-imidazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyethyl]-7,8-dihydroxy-3,4,6,7,8,9,11,12,13,14-decahydro-1,10,5-benzodioxazacyclohexadecin-5(2H)-yl]-3-(1H-imidazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-[(7R,8R,9R)-9-[(1R)-1,2-Dihydroxyéthyl]-7,8-dihydroxy-3,4,6,7,8,9,11,12,13,14-décahydro-1,10,5-benzodioxazacyclohexadécin-5(2H)-yl]-3-(1H-imidazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(7R,8R,9R)-9-[(1R)-1,2-dihydroxyethyl]-3,4,6,7,8,9,11,12,13,14-decahydro-7,8-dihydroxy-1,10,5-benzodioxaazacyclohexadecin-5(2H)-yl]-3-(1H-imidazol-1-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.24
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 67.05
Polar Surface Area: 138 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


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