ChemSpider 2D Image | BU48 | C27H33NO4

BU48

  • Molecular FormulaC27H33NO4
  • Average mass435.555 Da
  • Monoisotopic mass435.240967 Da
  • ChemSpider ID58178410

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2S,6R,14R,15R,16R,17S,21R)-5-(Cyclopropylmethyl)-15-methoxy-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.012,24.016,21]tetracosa-8(24),9,11,22-tetraen-11,17-diol [German] [ACD/IUPAC Name]
(1S,2S,6R,14R,15R,16R,17S,21R)-5-(Cyclopropylmethyl)-15-methoxy-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.012,24.016,21]tetracosa-8(24),9,11,22-tetraene-11,17-diol [ACD/IUPAC Name]
(1S,2S,6R,14R,15R,16R,17S,21R)-5-(Cyclopropylméthyl)-15-méthoxy-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.012,24.016,21]tétracosa-8(24),9,11,22-tétraène-11,17-diol [French] [ACD/IUPAC Name]
10,14b-Etheno-1,5-methano-14bH-benzofuro[3,2-e]benz[h]isoquinoline-8,11-diol, 2-(cyclopropylmethyl)-1,2,3,4,9a,10,10a,11,12,13,14,14a-dodecahydro-10-methoxy-, (1R,4aS,9aR,10R,10aR,11S,14aR,14bS)- [ACD/Index Name]
BU48 [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 10.77
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 52.33
ACD/KOC (pH 7.4): 461.84
Polar Surface Area: 62 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 311.0±5.0 cm3

Click to predict properties on the Chemicalize site


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