ChemSpider 2D Image | (10'Z,14'Z)-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 4-O-(4-acet amido-2,4,6-trideoxy-3-O-methylhexopyranosyl)-2,6-dideoxy-3-O-methylhexopyranoside | C50H75NO14

(10'Z,14'Z)-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 4-O-(4-acet amido-2,4,6-trideoxy-3-O-methylhexopyranosyl)-2,6-dideoxy-3-O-methylhexopyranoside

  • Molecular FormulaC50H75NO14
  • Average mass914.129 Da
  • Monoisotopic mass913.518738 Da
  • ChemSpider ID44241093

  • Double-bond stereo - Double-bond stereo

More details:

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

(10'Z,14'Z)-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 4-O-(4-acet 
amido-2,4,6-trideoxy-3-O-methylhexopyranosyl)-2,6-dideoxy-3-O-methylhexopyranoside [ACD/IUPAC Name]
(2aE,4E,8E)-6'-(butan-2-yl)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-
(2aE,4E,8E)-6'-(butan-2-yl)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 4-O-[4-(acetylamino)-2,4,6-trideoxy-3-O-met

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

Density: 1.2±0.1 g/cm3
Boiling Point: 992.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.0±6.0 kJ/mol
Flash Point: 554.1±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 242.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 18024.91
ACD/KOC (pH 5.5): 38720.48
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 18024.68
ACD/KOC (pH 7.4): 38719.96
Polar Surface Area: 179 Å2
Polarizability: 96.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 740.5±5.0 cm3

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