ChemSpider 2D Image | Verrucarin B | C27H32O9

Verrucarin B

  • Molecular FormulaC27H32O9
  • Average mass500.538 Da
  • Monoisotopic mass500.204620 Da
  • ChemSpider ID10216225

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'R,2S,3'R,8'R,12'S,14'R,19'E,21'Z,25'R,26'S)-5',14',26'-Trimethyl-11'H,18'H,23'H-spiro[oxirane-2,27'-[2,10,13,17,24]pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa[4,19,21]triene]-11',18',23'-trione
(1'R,3'R,8'R,12'S,14'R,19'E,21'Z,25'R,26'S)-5',14',26'-Trimethyl-11'H,18'H,23'H-spiro[oxirane-2,27'-[2,10,13,17,24]pentaoxapentacyclo[23.2.1.03,8.08,26.012,14]octacosa[4,19,21]triene]-11',18',23
 '-trione [ACD/IUPAC Name]
(2'S,3'R)-2'-Deoxy-2',3'-epoxyverrucarin A
2290-11-1 [RN]
Verrucarin B

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

PHV68JZ445 [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: 733.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.97
ACD/KOC (pH 5.5): 180.47
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.97
ACD/KOC (pH 7.4): 180.47
Polar Surface Area: 113 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 368.6±5.0 cm3

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