ChemSpider 2D Image | 16-Hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethyl-12H,24H-spiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.0~3,9~.0~4,6~.0~9,27~.0~13,15~]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione | C29H38O11

16-Hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethyl-12H,24H-spiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID4513759

  • Double-bond stereo - Double-bond stereo

More details:

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

16-Hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethyl-12H,24H-spiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione [ACD/IUPAC Name]
61251-97-6 [RN]
63814-58-4 [RN]
B800157K386
Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9, 10-diepoxy-9,10-dihydro-4'-hydroxy-7'- (1-hydroxyethyl)
Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9, 10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-

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

AIDS160168 [DBID]
AIDS-160168 [DBID]
BRN 5787382 [DBID]
NSC 269757 [DBID]
NSC269757 [DBID]
NSC269760 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 799.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.4±6.0 kJ/mol
Flash Point: 263.8±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.25
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.25
Polar Surface Area: 149 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 395.2±5.0 cm3

Click to predict properties on the Chemicalize site


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