ChemSpider 2D Image | 13'-Hydroxy-6',14',26'-trimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.0~3,9~.0~4,6~.0~9,26~]octacosa[19,21]diene]-12',18',23'-trione | C27H34O10

13'-Hydroxy-6',14',26'-trimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[19,21]diene]-12',18',23'-trione

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID157795

More details:

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

13'-Hydroxy-6',14',26'-trimethyl-12'H,18'H,23'H-spiro[oxirane-2,27'-[2,5,11,17,24]pentaoxapentacyclo[23.2.1.03,9.04,6.09,26]octacosa[19,21]diene]-12',18',23'-trione [ACD/IUPAC Name]
cid_181390

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

NCI60_002324 [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: 762.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 255.7±26.4 °C
Index of Refraction: 1.594
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -1.30
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.20
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.19
Polar Surface Area: 133 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 373.8±5.0 cm3

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