ChemSpider 2D Image | (1'R,2S,4'S,5S,6R,8'R,12'S,13'S,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-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-dideoxy-4-O-{2,6-dideoxy-4-O-[(E)-ethylideneamino]-3-O-methyl-alpha-L-arabino-hexopyranosyl}-3-O-methyl-alpha-L-arabino-hexopyranoside | C49H73NO14

(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-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-dideoxy-4-O-{2,6-dideoxy-4-O-[(E)-ethylideneamino]-3-O-methyl-α-L-arabino-hexopyranosyl}-3-O-methyl-α-L-arabino-hexopyranoside

  • Molecular FormulaC49H73NO14
  • Average mass900.102 Da
  • Monoisotopic mass899.503113 Da
  • ChemSpider ID9882760

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-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-dideoxy-4-O-{2,6-dideoxy-4-O-[(E)-ethylideneamino]-3-O-methyl-α-L-arabino-hexopyranosyl}-3-O-methyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 943.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.8±6.0 kJ/mol
Flash Point: 524.5±37.1 °C
Index of Refraction: 1.585
Molar Refractivity: 230.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28152.83
ACD/KOC (pH 5.5): 53278.56
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28152.46
ACD/KOC (pH 7.4): 53277.86
Polar Surface Area: 171 Å2
Polarizability: 91.4±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 688.0±7.0 cm3

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