ChemSpider 2D Image | (1S,4S,5R,6R,8R,9R,14R,15S,18S,20R,21R,23S)-20-Hydroxy-4,8,12,23-tetramethyl-7H,10H-spiro[17,25-dioxa-19-azaheptacyclo[19.3.1.1~15,18~.0~1,19~.0~4,18~.0~6,15~.0~9,14~]hexacos-11-ene-5,3'-furan]-5',7,1 0,26(4'H)-tetrone | C30H37NO8

(1S,4S,5R,6R,8R,9R,14R,15S,18S,20R,21R,23S)-20-Hydroxy-4,8,12,23-tetramethyl-7H,10H-spiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,3'-furan]-5',7,1 0,26(4'H)-tetrone

  • Molecular FormulaC30H37NO8
  • Average mass539.617 Da
  • Monoisotopic mass539.251892 Da
  • ChemSpider ID40256595

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1S,4S,5R,6R,8R,9R,14R,15S,18S,20R,21R,23S)-20-Hydroxy-4,8,12,23-tetramethyl-7H,10H-spiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,3'-furan]-5',7,1 ; 0,26(4'H)-tetrone [ACD/IUPAC Name]

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: 1.637
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 628.07
ACD/KOC (pH 5.5): 3502.78
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 628.07
ACD/KOC (pH 7.4): 3502.79
Polar Surface Area: 119 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 377.1±5.0 cm3

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