ChemSpider 2D Image | (10'E,14'E,16'E)-6-sec-Butyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-di deoxy-4-O-[(5E)-4-methoxy-6-methyl-5-(2-oxoethylidene)tetrahydro-2H-pyran-2-yl]-3-O-methylhexopyranoside | C50H72O14

(10'E,14'E,16'E)-6-sec-Butyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-di deoxy-4-O-[(5E)-4-methoxy-6-methyl-5-(2-oxoethylidene)tetrahydro-2H-pyran-2-yl]-3-O-methylhexopyranoside

  • Molecular FormulaC50H72O14
  • Average mass897.098 Da
  • Monoisotopic mass896.492188 Da
  • ChemSpider ID8030012

  • Double-bond stereo - Double-bond stereo

More details:

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

(10'E,14'E,16'E)-6-sec-Butyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-di deoxy-4-O-[(5E)-4-methoxy-6-methyl-5-(2-oxoethylidene)tetrahydro-2H-pyran-2-yl]-3-O-methylhexopyranoside [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 961.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.7±6.0 kJ/mol
Flash Point: 272.0±27.8 °C
Index of Refraction: 1.571
Molar Refractivity: 238.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29665.84
ACD/KOC (pH 5.5): 55312.84
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29665.45
ACD/KOC (pH 7.4): 55312.11
Polar Surface Area: 167 Å2
Polarizability: 94.5±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 725.9±5.0 cm3

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