ChemSpider 2D Image | (1R,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxo-2-nonanyl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl 2,6-dideoxy-alpha-D-arabino-
hexopyranoside | C40H66O10

(1R,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxo-2-nonanyl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl 2,6-dideoxy-α-D-arabino- hexopyranoside

  • Molecular FormulaC40H66O10
  • Average mass706.946 Da
  • Monoisotopic mass706.465576 Da
  • ChemSpider ID4947735
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 14 defined stereocentres


More details:






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

(1R,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxo-2-nonanyl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl 2,6-dideoxy-α-D-arabino- hexopyranoside [ACD/IUPAC Name]
(1R,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxo-2-nonanyl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl-2,6-didesoxy-α-D-arabino -hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-α-D-arabino-hexopyranoside de (1R,6R,8R,9Z,11R,15Z,17R)-1-hydroxy-5-[(4R,5S,6S)-5-hydroxy-4,6-diméthyl-7-oxo-2-nonanyl]-6,8,16,18-tétraméthyl-3-oxo-4,21-dioxabicyclo[15.3.1]hénicosa-9 ,15,18-trién-11-yle [French] [ACD/IUPAC Name]
4,21-Dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one, 11-[(2,6-dideoxy-α-D-arabino-hexopyranosyl)oxy]-1-hydroxy-5-[(3R,4S,5S)-4-hydroxy-1,3,5-trimethyl-6-oxooctyl]-6,8,16,18-tetramethyl-, (1R,6R ,8R,9Z,11R,15Z,17R)- [ACD/Index Name]
(1R,6R,8R,9Z,11R,15Z,17R)-11-{[(2S,4R,5S,6R)-4,5-DIHYDROXY-6-METHYLOXAN-2-YL]OXY}-1-HYDROXY-5-[(4R,5S,6S)-5-HYDROXY-4,6-DIMETHYL-7-OXONONAN-2-YL]-6,8,16,18-TETRAMETHYL-4,21-DIOXABICYCLO[15.3.1]HENICOSA-9,15,18-TRIEN-3-ONE
Venturicidin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 823.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.2±6.0 kJ/mol
Flash Point: 240.9±27.8 °C
Index of Refraction: 1.539
Molar Refractivity: 193.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2482.95
ACD/KOC (pH 5.5): 9369.43
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2482.84
ACD/KOC (pH 7.4): 9369.05
Polar Surface Area: 152 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 617.8±5.0 cm3

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