ChemSpider 2D Image | (1S,6S,7R,8R,10S,13S,14R,15S,16R,17R,18R,23R)-7,16-Dihydroxy-8,13,17,21-tetramethyl-19H-spiro[25,26-dioxa-4-azaheptacyclo[14.7.2.1~6,10~.0~1,15~.0~3,13~.0~4,10~.0~18,23~]hexacosa-2,20-diene-14,3'-fura n]-5',19(4'H)-dione | C30H39NO7

(1S,6S,7R,8R,10S,13S,14R,15S,16R,17R,18R,23R)-7,16-Dihydroxy-8,13,17,21-tetramethyl-19H-spiro[25,26-dioxa-4-azaheptacyclo[14.7.2.16,10.01,15.03,13.04,10.018,23]hexacosa-2,20-diene-14,3'-fura n]-5',19(4'H)-dione

  • Molecular FormulaC30H39NO7
  • Average mass525.633 Da
  • Monoisotopic mass525.272644 Da
  • ChemSpider ID40256596

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1S,6S,7R,8R,10S,13S,14R,15S,16R,17R,18R,23R)-7,16-Dihydroxy-8,13,17,21-tetramethyl-19H-spiro[25,26-dioxa-4-azaheptacyclo[14.7.2.16,10.01,15.03,13.04,10.018,23]hexacosa-2,20-diene-14,3'-fura 
n]-5',19(4'H)-dione [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: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 421.1±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 13.72
ACD/KOC (pH 5.5): 215.40
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.43
ACD/KOC (pH 7.4): 257.96
Polar Surface Area: 106 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 374.0±5.0 cm3

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