ChemSpider 2D Image | (2R,3S,4R,6S)-4-Hydroxy-6-{[(3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-{[(2R,3aS,3a'R,6S,6'R,7R,7'S,7aR,7a'R)-7'-hydroxy-7'-[(1R)-1-hydroxye
thyl]-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-
4,6',7a-trimethyloctahydro-4H-spiro[1,3-diox | C61H90Cl2O32

(2R,3S,4R,6S)-4-Hydroxy-6-{[(3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-{[(2R,3aS,3a'R,6S,6'R,7R,7'S,7aR,7a'R)-7'-hydroxy-7'-[(1R)-1-hydroxye thyl]-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}- 4,6',7a-trimethyloctahydro-4H-spiro[1,3-diox

  • Molecular FormulaC61H90Cl2O32
  • Average mass1406.254 Da
  • Monoisotopic mass1404.479248 Da
  • ChemSpider ID16736581
  • defined stereocentres - 30 of 32 defined stereocentres


More details:






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

(2R,3S,4R,6S)-4-Hydroxy-6-{[(3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-{[(2R,3aS,3a'R,6S,6'R,7R,7'S,7aR,7a'R)-7'-hydroxy-7'-[(1R)-1-hydroxye thyl]-7-(isobutyryloxy)-6'-methyloctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy}-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}- 4,6',7a-trimethyloctahydro-4H-spiro[1,3-diox [ACD/IUPAC Name]
69787-80-0 [RN]
avilamycin C

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 321.1±0.4 cm3
#H bond acceptors: 32
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 13.30
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 116702.84
ACD/KOC (pH 5.5): 95187.52
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 2241.68
ACD/KOC (pH 7.4): 1828.41
Polar Surface Area: 388 Å2
Polarizability: 127.3±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 935.4±5.0 cm3

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