ChemSpider 2D Image | (4xi)-1-C-[(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1~38,42~.0~2,20~.0~5,10~.0~11,16~.0~23,28~.0~33,45~.0~34,39~] hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-pentadecaen-46-yl]-D-erythro-pentofuranose | C46H34O30

(4ξ)-1-C-[(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39] hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-pentadecaen-46-yl]-D-erythro-pentofuranose

  • Molecular FormulaC46H34O30
  • Average mass1066.744 Da
  • Monoisotopic mass1066.113525 Da
  • ChemSpider ID430989

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(4ξ)-1-C-[(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39] hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-pentadecaen-46-yl]-D-erythro-pentofuranose [ACD/IUPAC Name]
(4ξ)-1-C-[(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39] hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-pentadecaen-46-yl]-D-erythro-pentofuranose [German] [ACD/IUPAC Name]
(4ξ)-1-C-[(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadécahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39] hexatétraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34,36,38-pentadécaén-46-yl]-D-érythro-pentofuranose [French] [ACD/IUPAC Name]
115166-32-0 [RN]
Grandinin

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

AIDS121628 [DBID]
AIDS-121628 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.850
Molar Refractivity: 234.0±0.3 cm3
#H bond acceptors: 30
#H bond donors: 19
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 525 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 140.9±3.0 dyne/cm
Molar Volume: 523.7±3.0 cm3

Click to predict properties on the Chemicalize site


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